[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C21H29N3O5/c1-14(2)12-22-21(28)23-18(25)13-29-20(27)16-8-10-24(11-9-16)19(26)17-7-5-4-6-15(17)3/h4-7,14,16H,8-13H2,1-3H3,(H2,22,23,25,28)