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

Systemtic Name: 2-[[2-butan-2-yl-3-oxidanylidene-1-(2-phenoxypropanoyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-oxo-1-(2-phenoxypropanoyl)-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-2-phenoxypropyl)-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butan-2-yl-3-oxo-1-(2-phenoxypropanoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-keto-1-(2-phenoxypropanoyl)-2-sec-butyl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C31H33N3O6 MolecularWeight: 543.61022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC2=C(N1C(=O)C(C)OC3=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)C(C)OC3=CC=CC=C3)C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H33N3O6/c1-4-19(2)27-29(36)32-24-18-22(28(35)33-25(31(38)39)17-21-11-7-5-8-12-21)15-16-26(24)34(27)30(37)20(3)40-23-13-9-6-10-14-23/h5-16,18-20,25,27H,4,17H2,1-3H3,(H,32,36)(H,33,35)(H,38,39)