methyl 1-[(3S)-1-(2,5-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[(3S)-1-(2,5-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[(3S)-1-(2,5-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3S)-1-(2,5-dimethoxyphenyl)-5-keto-pyrrolidine-3-carbonyl]isonipecotic acid methyl ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H26N2O6/c1-26-15-4-5-17(27-2)16(11-15)22-12-14(10-18(22)23)19(24)21-8-6-13(7-9-21)20(25)28-3/h4-5,11,13-14H,6-10,12H2,1-3H3/t14-/m0/s1