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

Systemtic Name: 2-[[1-(3-fluorophenyl)carbonyl-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(3-fluorobenzoyl)-2-isopropyl-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[(3-fluorophenyl)-oxomethyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(3-fluorobenzoyl)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(3-fluorobenzoyl)-2-isopropyl-3-keto-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C28H26FN3O5 MolecularWeight: 503.521543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26FN3O5/c1-16(2)24-26(34)30-21-15-18(25(33)31-22(28(36)37)13-17-7-4-3-5-8-17)11-12-23(21)32(24)27(35)19-9-6-10-20(29)14-19/h3-12,14-16,22,24H,13H2,1-2H3,(H,30,34)(H,31,33)(H,36,37)