2-[8-cyano-1-oxidanylidene-3-phenyl-9-(phenylmethyl)pyrido[3,4-b]indol-2-yl]ethanoic acid

Systemtic Name: 2-[8-cyano-1-oxidanylidene-3-phenyl-9-(phenylmethyl)pyrido[3,4-b]indol-2-yl]ethanoic acid Openeye Name: 2-(9-benzyl-8-cyano-1-oxo-3-phenyl-pyrido[3,4-b]indol-2-yl)acetic acid CAS Name: 2-[8-cyano-1-oxo-3-phenyl-9-(phenylmethyl)-2-pyrido[3,4-b]indolyl]acetic acid IUPAC Name: 2-(9-benzyl-8-cyano-1-oxo-3-phenylpyrido[3,4-b]indol-2-yl)acetic acid Traditional Name: 2-(9-benzyl-8-cyano-1-keto-3-phenyl-$b-carbolin-2-yl)acetic acid Formula: C27H19N3O3 MolecularWeight: 433.45806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC=C3C4=C2C(=O)N(C(=C4)C5=CC=CC=C5)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC=C3C4=C2C(=O)N(C(=C4)C5=CC=CC=C5)CC(=O)O)C#N

InChI

InChI=1S/C27H19N3O3/c28-15-20-12-7-13-21-22-14-23(19-10-5-2-6-11-19)29(17-24(31)32)27(33)26(22)30(25(20)21)16-18-8-3-1-4-9-18/h1-14H,16-17H2,(H,31,32)