propan-2-yl 3-[[1-(4-methylphenyl)carbonylpiperidin-3-yl]carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[[1-(4-methylphenyl)carbonylpiperidin-3-yl]carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[[1-[(4-methylphenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-(2-nitrophenyl)-3-[(1-p-toluoylnipecotoyl)amino]propionic acid isopropyl ester Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O6/c1-17(2)35-24(30)15-22(21-8-4-5-9-23(21)29(33)34)27-25(31)20-7-6-14-28(16-20)26(32)19-12-10-18(3)11-13-19/h4-5,8-13,17,20,22H,6-7,14-16H2,1-3H3,(H,27,31)