4-oxidanylidene-4-[(2-oxidanylideneazepan-3-yl)amino]-3-[4-(4-phenylphenyl)imidazol-1-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2-oxidanylideneazepan-3-yl)amino]-3-[4-(4-phenylphenyl)imidazol-1-yl]butanoic acid Openeye Name: 4-oxo-4-[(2-oxoazepan-3-yl)amino]-3-[4-(4-phenylphenyl)imidazol-1-yl]butanoic acid CAS Name: 4-oxo-4-[(2-oxo-3-azepanyl)amino]-3-[4-(4-phenylphenyl)-1-imidazolyl]butanoic acid IUPAC Name: 4-oxo-4-[(2-oxoazepan-3-yl)amino]-3-[4-(4-phenylphenyl)imidazol-1-yl]butanoic acid Traditional Name: 4-keto-4-[(2-ketoazepan-3-yl)amino]-3-[4-(4-phenylphenyl)imidazol-1-yl]butyric acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C(CC(=O)O)N2C=C(N=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C(CC(=O)O)N2C=C(N=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O4/c30-23(31)14-22(25(33)28-20-8-4-5-13-26-24(20)32)29-15-21(27-16-29)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-3,6-7,9-12,15-16,20,22H,4-5,8,13-14H2,(H,26,32)(H,28,33)(H,30,31)