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

Systemtic Name: 2-[8-cyano-1-oxidanylidene-9-(phenylmethyl)-3-propan-2-yl-pyrido[3,4-b]indol-2-yl]ethanoic acid Openeye Name: 2-(9-benzyl-8-cyano-3-isopropyl-1-oxo-pyrido[3,4-b]indol-2-yl)acetic acid CAS Name: 2-[8-cyano-1-oxo-9-(phenylmethyl)-3-propan-2-yl-2-pyrido[3,4-b]indolyl]acetic acid IUPAC Name: 2-(9-benzyl-8-cyano-1-oxo-3-propan-2-ylpyrido[3,4-b]indol-2-yl)acetic acid Traditional Name: 2-(9-benzyl-8-cyano-3-isopropyl-1-keto-$b-carbolin-2-yl)acetic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C(=O)N1CC(=O)O)N(C3=C(C=CC=C23)C#N)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC2=C(C(=O)N1CC(=O)O)N(C3=C(C=CC=C23)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3/c1-15(2)20-11-19-18-10-6-9-17(12-25)22(18)27(13-16-7-4-3-5-8-16)23(19)24(30)26(20)14-21(28)29/h3-11,15H,13-14H2,1-2H3,(H,28,29)