[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylate

Systemtic Name: [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylate Openeye Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 1-(m-tolylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[(3-methylanilino)-oxomethyl]-4-piperidinecarboxylic acid [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylate Traditional Name: 1-(m-tolylcarbamoyl)isonipecotic acid [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)C(=O)OC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)C(=O)OC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C25H31N3O6/c1-14-7-6-8-19(13-14)27-25(32)28-11-9-18(10-12-28)23(30)34-17(4)22(29)21-15(2)20(16(3)26-21)24(31)33-5/h6-8,13,17-18,26H,9-12H2,1-5H3,(H,27,32)