ethyl 2-[8-cyano-1-oxidanylidene-9-(phenylmethyl)-3-propan-2-yl-pyrido[3,4-b]indol-2-yl]ethanoate

Systemtic Name: ethyl 2-[8-cyano-1-oxidanylidene-9-(phenylmethyl)-3-propan-2-yl-pyrido[3,4-b]indol-2-yl]ethanoate Openeye Name: ethyl 2-(9-benzyl-8-cyano-3-isopropyl-1-oxo-pyrido[3,4-b]indol-2-yl)acetate CAS Name: 2-[8-cyano-1-oxo-9-(phenylmethyl)-3-propan-2-yl-2-pyrido[3,4-b]indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(9-benzyl-8-cyano-1-oxo-3-propan-2-ylpyrido[3,4-b]indol-2-yl)acetate Traditional Name: 2-(9-benzyl-8-cyano-3-isopropyl-1-keto-$b-carbolin-2-yl)acetic acid ethyl ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=CC2=C(C1=O)N(C3=C(C=CC=C23)C#N)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CCOC(=O)CN1C(=CC2=C(C1=O)N(C3=C(C=CC=C23)C#N)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C26H25N3O3/c1-4-32-23(30)16-28-22(17(2)3)13-21-20-12-8-11-19(14-27)24(20)29(25(21)26(28)31)15-18-9-6-5-7-10-18/h5-13,17H,4,15-16H2,1-3H3