methyl 3-(4-methylphenyl)-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-(4-methylphenyl)-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)-3-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-(2-nitrophenyl)isonipecotoyl]amino]-3-(p-tolyl)propionic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-16-7-9-17(10-8-16)19(15-22(27)31-2)24-23(28)18-11-13-25(14-12-18)20-5-3-4-6-21(20)26(29)30/h3-10,18-19H,11-15H2,1-2H3,(H,24,28)