2-[3-[cyclopentylcarbonyl-(2-ethoxycarbonyl-4-phenyl-butyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[cyclopentylcarbonyl-(2-ethoxycarbonyl-4-phenyl-butyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[cyclopentanecarbonyl-(2-ethoxycarbonyl-4-phenyl-butyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[cyclopentyl(oxo)methyl]-(2-ethoxycarbonyl-4-phenylbutyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[cyclopentanecarbonyl-(2-ethoxycarbonyl-4-phenylbutyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[(2-carbethoxy-4-phenyl-butyl)-(cyclopentanecarbonyl)amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C31H38N2O6 MolecularWeight: 534.64322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)CN(C2CCC3=CC=CC=C3N(C2=O)CC(=O)O)C(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)CN(C2CCC3=CC=CC=C3N(C2=O)CC(=O)O)C(=O)C4CCCC4

InChI

InChI=1S/C31H38N2O6/c1-2-39-31(38)25(17-16-22-10-4-3-5-11-22)20-32(29(36)24-13-6-7-14-24)27-19-18-23-12-8-9-15-26(23)33(30(27)37)21-28(34)35/h3-5,8-12,15,24-25,27H,2,6-7,13-14,16-21H2,1H3,(H,34,35)