Chem
J-GLOBAL ID:200907089558382750
Nikkaji number:J588.743G
LE-135
LE-135
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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:
C29 H30 N2 O2
Molecular formula furigana:
C29-H30-N2-O2
Molecular weight:
438.571
InChI:
InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
InChI key:
YZZAIQOVMHVWBS-UHFFFAOYSA-N
SMILES:
CN1c2cc3c(cc2N=C(c2ccc(cc2)C(=O)O)c2ccccc12)C(C)(C)CCC3(C)C
Systematic name (3):
4-[(7,8,9,10-テトラヒドロ-5,7,7,10,10-ペンタメチル-5H-ベンゾ[e]ナフト[2,3-b][1,4]ジアゼピン)-13-イル]安息香酸
4-{2,14,14,17,17-ペンタメチル-2,10-ジアザテトラシクロ[9.8.0.03,8 .013,18 ]ノナデカ-1(19),3,5,7,9,11,13(18)-ヘプタエン-9-イル}安息香酸
4-{2,14,14,17,17-pentamethyl-2,10-diazatetracyclo[9.8.0.03,8 .013,18 ]nonadeca-1(19),3,5,7,9,11,13(18)-heptaen-9-yl}benzoic acid
Other name (2):
4-[(7,8,9,10-Tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo[e]naphtho[2,3-b][1,4]diazepin)-13-yl]benzoic acid
LE-135
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