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

Systemtic Name: [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: [(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid [(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)C2CCN(CC2)C(=O)C(C)(C)C

InChI

InChI=1S/C22H32N2O6/c1-12-16(20(27)29-7)13(2)23-17(12)18(25)14(3)30-19(26)15-8-10-24(11-9-15)21(28)22(4,5)6/h14-15,23H,8-11H2,1-7H3/t14-/m0/s1