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

Systemtic Name: ethyl 1-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]isonipecotic acid ethyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C20H30N2O5/c1-6-26-19(24)15-8-10-22(11-9-15)14(5)18(23)17-12(3)16(13(4)21-17)20(25)27-7-2/h14-15,21H,6-11H2,1-5H3/t14-/m0/s1