Chem
J-GLOBAL ID：200907099959807880   Nikkaji number：J1.716.692A

2-Oxo-4,4-diethyl-9cβ-phenyl-2,3,4,9c-tetrahydro-3-aza-2aH-pentaleno[1,6-ab]naphthalene-1,2aβ-dicarboxylic acid dimethyl ester

2-オキソ-4,4-ジエチル-9cβ-フェニル-2,3,4,9c-テトラヒドロ-3-アザ-2aH-ペンタレノ[1,6-ab]ナフタレン-1,2aβ-ジカルボン酸ジメチル
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： C28H27NO5
Molecular formula furigana： C28-H27-N-O5
Molecular weight： 457.526
InChI： InChI=1S/C28H27NO5/c1-5-26(6-2)20-16-17-12-10-11-15-19(17)22-21(24(31)33-3)23(30)28(29-26,25(32)34-4)27(20,22)18-13-8-7-9-14-18/h7-16,29H,5-6H2,1-4H3/t27-,28-/m1/s1
InChI key： NNSOMIVQALGDMC-VSGBNLITSA-N
SMILES： CCC1(CC)N[C@@]2(C(=O)OC)C(=O)C(=C3c4ccccc4C=C1[C@@]23c1ccccc1)C(=O)OC
Systematic name  (3)：
  • 2-オキソ-4,4-ジエチル-9cβ-フェニル-2,3,4,9c-テトラヒドロ-3-アザ-2aH-ペンタレノ[1,6-ab]ナフタレン-1,2aβ-ジカルボン酸ジメチル
  • 12,14-ジメチル (12R,15S)-10,10-ジエチル-13-オキソ-15-フェニル-11-アザテトラシクロ[7.5.1.02,7.012,15]ペンタデカ-1(14),2,4,6,8-ペンタエン-12,14-ジカルボキシラート
  • 12,14-dimethyl (12R,15S)-10,10-diethyl-13-oxo-15-phenyl-11-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(14),2,4,6,8-pentaene-12,14-dicarboxylate
Other name (1)：
  • 2-Oxo-4,4-diethyl-9cβ-phenyl-2,3,4,9c-tetrahydro-3-aza-2aH-pentaleno[1,6-ab]naphthalene-1,2aβ-dicarboxylic acid dimethyl ester
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