ethyl 4-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(3-chlorobenzyl)-3-methylol-piperidino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31ClN2O3 MolecularWeight: 394.93544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO

InChI

InChI=1S/C21H31ClN2O3/c1-2-27-20(26)23-11-7-19(8-12-23)24-10-4-9-21(15-24,16-25)14-17-5-3-6-18(22)13-17/h3,5-6,13,19,25H,2,4,7-12,14-16H2,1H3