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

Systemtic Name: 2-[[2-butan-2-yl-3-oxidanylidene-1-(3-phenylpropanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-oxo-1-(3-phenylpropanoyl)-2-sec-butyl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-butan-2-yl-3-oxo-1-(1-oxo-3-phenylpropyl)-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butan-2-yl-3-oxo-1-(3-phenylpropanoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-hydrocinnamoyl-3-keto-2-sec-butyl-2,4-dihydroquinoxaline-6-carbonyl)amino]-3-phenyl-propionic acid Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC2=C(N1C(=O)CCC3=CC=CC=C3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(C)C1C(=O)NC2=C(N1C(=O)CCC3=CC=CC=C3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H33N3O5/c1-3-20(2)28-30(37)32-24-19-23(29(36)33-25(31(38)39)18-22-12-8-5-9-13-22)15-16-26(24)34(28)27(35)17-14-21-10-6-4-7-11-21/h4-13,15-16,19-20,25,28H,3,14,17-18H2,1-2H3,(H,32,37)(H,33,36)(H,38,39)