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

Systemtic Name: 2-[[2-butan-2-yl-1-(3-fluorophenyl)carbonyl-3-oxidanylidene-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(3-fluorobenzoyl)-3-oxo-2-sec-butyl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-butan-2-yl-1-[(3-fluorophenyl)-oxomethyl]-3-oxo-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butan-2-yl-1-(3-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(3-fluorobenzoyl)-3-keto-2-sec-butyl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C29H28FN3O5 MolecularWeight: 517.548123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C29H28FN3O5/c1-3-17(2)25-27(35)31-22-16-19(26(34)32-23(29(37)38)14-18-8-5-4-6-9-18)12-13-24(22)33(25)28(36)20-10-7-11-21(30)15-20/h4-13,15-17,23,25H,3,14H2,1-2H3,(H,31,35)(H,32,34)(H,37,38)