methyl 3-[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-(2-chlorobenzyl)-4-methylol-piperidine-1-carbonyl]benzoic acid methyl ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)(CC3=CC=CC=C3Cl)CO

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)(CC3=CC=CC=C3Cl)CO

InChI

InChI=1S/C22H24ClNO4/c1-28-21(27)17-7-4-6-16(13-17)20(26)24-11-9-22(15-25,10-12-24)14-18-5-2-3-8-19(18)23/h2-8,13,25H,9-12,14-15H2,1H3