[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 6-keto-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)nipecotic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NCC#C)C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NCC#C)C3=CC=CC=C3OC

InChI

InChI=1S/C25H26N2O6/c1-4-15-26-22(28)16-33-25(30)20-13-14-23(29)27(17-9-11-18(31-2)12-10-17)24(20)19-7-5-6-8-21(19)32-3/h1,5-12,20,24H,13-16H2,2-3H3,(H,26,28)