4-[(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-[(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]butanoic acid CAS Name: 4-[(4-cyano-2-ethyl-3-methyl-1-pyrido[1,2-a]benzimidazolyl)amino]-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-[(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]butyric acid Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O4/c1-3-19-17(2)20(15-28)25-30-21-11-7-8-12-23(21)32(25)24(19)29-14-13-22(26(33)34)31-27(35)36-16-18-9-5-4-6-10-18/h4-12,22,29H,3,13-14,16H2,1-2H3,(H,31,35)(H,33,34)