2-[[3-oxidanylidene-2-(phenylmethyl)-1-(3-phenylpropanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-oxidanylidene-2-(phenylmethyl)-1-(3-phenylpropanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-benzyl-3-oxo-1-(3-phenylpropanoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[oxo-[3-oxo-1-(1-oxo-3-phenylpropyl)-2-(phenylmethyl)-2,4-dihydroquinoxalin-6-yl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-benzyl-3-oxo-1-(3-phenylpropanoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-benzyl-1-hydrocinnamoyl-3-keto-2,4-dihydroquinoxaline-6-carbonyl)amino]-3-phenyl-propionic acid Formula: C34H31N3O5 MolecularWeight: 561.62704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N2C(C(=O)NC3=C2C=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N2C(C(=O)NC3=C2C=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C34H31N3O5/c38-31(19-16-23-10-4-1-5-11-23)37-29-18-17-26(32(39)36-28(34(41)42)20-24-12-6-2-7-13-24)22-27(29)35-33(40)30(37)21-25-14-8-3-9-15-25/h1-15,17-18,22,28,30H,16,19-21H2,(H,35,40)(H,36,39)(H,41,42)