[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate CAS Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCC(C2)C)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCC(C2)C)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H31NO6/c1-3-29-23-16-20(25(28)32-18-24(27)26-13-7-8-19(2)17-26)11-12-22(23)31-15-14-30-21-9-5-4-6-10-21/h4-6,9-12,16,19H,3,7-8,13-15,17-18H2,1-2H3