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

Systemtic Name: 2-[3-oxidanylidene-4-(1-phenylethyl)-7-(4-piperidin-4-ylpiperidin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[3-oxo-4-(1-phenylethyl)-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[3-oxo-7-[oxo-[4-(4-piperidinyl)-1-piperidinyl]methyl]-4-(1-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[3-oxo-4-(1-phenylethyl)-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-(1-phenylethyl)-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C30H38N4O4 MolecularWeight: 518.64712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C5CCNCC5)NC(C2=O)CC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N2CC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C5CCNCC5)NC(C2=O)CC(=O)O

InChI

InChI=1S/C30H38N4O4/c1-20(21-5-3-2-4-6-21)34-19-25-17-24(7-8-26(25)32-27(30(34)38)18-28(35)36)29(37)33-15-11-23(12-16-33)22-9-13-31-14-10-22/h2-8,17,20,22-23,27,31-32H,9-16,18-19H2,1H3,(H,35,36)