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

Systemtic Name: methyl 4-[[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(hydroxymethyl)-3-(3-phenylpropyl)-1-piperidyl]methyl]benzoate CAS Name: 4-[[3-(hydroxymethyl)-3-(3-phenylpropyl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[3-methylol-3-(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)CN2CCCC(C2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCC(C2)(CCCC3=CC=CC=C3)CO

InChI

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