1-[2-[(3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl)carbonylamino]-3-phenyl-propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl)carbonylamino]-3-phenyl-propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(2-isopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenyl-propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[[oxo-(3-oxo-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl)methyl]amino]-3-phenylpropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(2-isopropyl-3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenyl-propanoyl]isonipecotic acid Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=CC=CC=C2N1C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(C)C1C(=O)NC2=CC=CC=C2N1C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H32N4O5/c1-17(2)23-24(32)28-20-10-6-7-11-22(20)31(23)27(36)29-21(16-18-8-4-3-5-9-18)25(33)30-14-12-19(13-15-30)26(34)35/h3-11,17,19,21,23H,12-16H2,1-2H3,(H,28,32)(H,29,36)(H,34,35)