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

Systemtic Name: 2-[[3-oxidanylidene-2-phenyl-1-(3-phenylpropanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-oxo-2-phenyl-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-phenyl-2,4-dihydroquinoxalin-6-yl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-oxo-2-phenyl-1-(3-phenylpropanoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-hydrocinnamoyl-3-keto-2-phenyl-2,4-dihydroquinoxaline-6-carbonyl)amino]-3-phenyl-propionic acid Formula: C33H29N3O5 MolecularWeight: 547.60046

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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)C5=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)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3O5/c37-29(19-16-22-10-4-1-5-11-22)36-28-18-17-25(21-26(28)34-32(39)30(36)24-14-8-3-9-15-24)31(38)35-27(33(40)41)20-23-12-6-2-7-13-23/h1-15,17-18,21,27,30H,16,19-20H2,(H,34,39)(H,35,38)(H,40,41)