2-[4-methyl-3-oxidanylidene-7-[4-(1-phenylmethoxycarbonylpiperidin-4-yl)piperidin-1-yl]carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-3-oxidanylidene-7-[4-(1-phenylmethoxycarbonylpiperidin-4-yl)piperidin-1-yl]carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[4-(1-benzyloxycarbonyl-4-piperidyl)piperidine-1-carbonyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[4-methyl-3-oxo-7-[oxo-[4-(1-phenylmethoxycarbonyl-4-piperidinyl)-1-piperidinyl]methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-3-oxo-7-[4-(1-phenylmethoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-[4-(1-carbobenzoxy-4-piperidyl)piperidine-1-carbonyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C31H38N4O6 MolecularWeight: 562.65662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4CCN(CC4)C(=O)OCC5=CC=CC=C5)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4CCN(CC4)C(=O)OCC5=CC=CC=C5)NC(C1=O)CC(=O)O

InChI

InChI=1S/C31H38N4O6/c1-33-19-25-17-24(7-8-26(25)32-27(30(33)39)18-28(36)37)29(38)34-13-9-22(10-14-34)23-11-15-35(16-12-23)31(40)41-20-21-5-3-2-4-6-21/h2-8,17,22-23,27,32H,9-16,18-20H2,1H3,(H,36,37)