methyl (4S)-4-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: methyl (4S)-4-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate Openeye Name: methyl (4S)-4-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-1-(4-hydroxybenzyl)nipecotic acid methyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCC1C2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)C1CN(CC[C@@H]1C2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)O

InChI

InChI=1S/C20H22ClNO3/c1-25-20(24)19-13-22(12-14-2-8-17(23)9-3-14)11-10-18(19)15-4-6-16(21)7-5-15/h2-9,18-19,23H,10-13H2,1H3/t18-,19?/m1/s1