[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1,2-bis(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1,2-bis(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1,2-bis(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1,2-bis(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 6-keto-1,2-bis(4-methoxyphenyl)nipecotic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C28H34N2O6 MolecularWeight: 494.57936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)OCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)OCC(=O)N4CCCCCC4

InChI

InChI=1S/C28H34N2O6/c1-34-22-11-7-20(8-12-22)27-24(28(33)36-19-26(32)29-17-5-3-4-6-18-29)15-16-25(31)30(27)21-9-13-23(35-2)14-10-21/h7-14,24,27H,3-6,15-19H2,1-2H3