3-phenylpropyl 2-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]acetate CAS Name: 2-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]acetate Traditional Name: 2-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]acetic acid 3-phenylpropyl ester Formula: C23H28ClNO2 MolecularWeight: 385.92692

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)CC(=O)OCCCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CC[C@@H]([C@H](C1)CC(=O)OCCCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClNO2/c1-25-14-13-22(19-9-11-21(24)12-10-19)20(17-25)16-23(26)27-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20,22H,5,8,13-17H2,1H3/t20-,22+/m0/s1