5-(1-ethanoyl-2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 5-(1-ethanoyl-2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)-2-oxidanyl-benzoic acid Openeye Name: 5-(1-acetyl-2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)-2-hydroxy-benzoic acid CAS Name: 5-(1-acetyl-2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)-2-hydroxybenzoic acid IUPAC Name: 5-(1-acetyl-2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)-2-hydroxybenzoic acid Traditional Name: 5-(1-acetyl-2-phenyl-4,5-dihydrobenz[e]indol-3-yl)-2-hydroxy-benzoic acid Formula: C27H21NO4 MolecularWeight: 423.45994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=C1C3=CC=CC=C3CC2)C4=CC(=C(C=C4)O)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=C(N(C2=C1C3=CC=CC=C3CC2)C4=CC(=C(C=C4)O)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H21NO4/c1-16(29)24-25-20-10-6-5-7-17(20)11-13-22(25)28(26(24)18-8-3-2-4-9-18)19-12-14-23(30)21(15-19)27(31)32/h2-10,12,14-15,30H,11,13H2,1H3,(H,31,32)