methyl 4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-methylol-4-(3-phenylpropyl)piperidino]methyl]benzoic acid methyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C24H31NO3/c1-28-23(27)22-11-9-21(10-12-22)18-25-16-14-24(19-26,15-17-25)13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,26H,5,8,13-19H2,1H3