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

Systemtic Name: 2-[[2-butan-2-yl-1-(3-methoxyphenyl)carbonyl-3-oxidanylidene-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(3-methoxybenzoyl)-3-oxo-2-sec-butyl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-butan-2-yl-1-[(3-methoxyphenyl)-oxomethyl]-3-oxo-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butan-2-yl-1-(3-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-keto-1-m-anisoyl-2-sec-butyl-2,4-dihydroquinoxaline-6-carbonyl)amino]-3-phenyl-propionic acid Formula: C30H31N3O6 MolecularWeight: 529.58364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O6/c1-4-18(2)26-28(35)31-23-17-20(27(34)32-24(30(37)38)15-19-9-6-5-7-10-19)13-14-25(23)33(26)29(36)21-11-8-12-22(16-21)39-3/h5-14,16-18,24,26H,4,15H2,1-3H3,(H,31,35)(H,32,34)(H,37,38)