Chem
J-GLOBAL ID：200907083943427812   Nikkaji number：J777.884H

LE-540

LE-540
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C33H32N2O2
Molecular formula furigana： C33-H32-N2-O2
Molecular weight： 488.631
InChI： InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
InChI key： WJVKVKNDLOYKSA-UHFFFAOYSA-N
SMILES： CN1c2cc3c(cc2N=C(c2ccc(cc2)C(=O)O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Systematic name  (4)：
  • 4-[(10,11,12,13-テトラヒドロ-10,10,13,13,15-ペンタメチル-8,15-ジアザ-15H-シクロヘプタ[2,1-a:4,5-b′]ジナフタレン)-7-イル]安息香酸
  • 4-[10,10,13,13,15-ペンタメチル-10,11,12,13-テトラヒドロ-8,15-ジアザ-15H-シクロヘプタ[2,1-a:4,5-b′]ジナフタレン-7-イル]安息香酸
  • 4-{2,18,18,21,21-ペンタメチル-2,14-ジアザペンタシクロ[13.8.0.03,12.04,9.017,22]トリコサ-1(23),3,5,7,9,11,13,15,17(22)-ノナエン-13-イル}安息香酸
  • 4-{2,18,18,21,21-pentamethyl-2,14-diazapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3,5,7,9,11,13,15,17(22)-nonaen-13-yl}benzoic acid
Other name (3)：
  • LE-540
  • 4-[(10,11,12,13-Tetrahydro-10,10,13,13,15-pentamethyl-8,15-diaza-15H-cyclohepta[2,1-a:4,5-b′]dinaphthalen)-7-yl]benzoic acid
  • 4-[10,10,13,13,15-Pentamethyl-10,11,12,13-tetrahydro-8,15-diaza-15H-cyclohepta[2,1-a:4,5-b′]dinaphthalene-7-yl]benzoic acid
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