methyl (2S)-2-(4-methylphenyl)-2-[(2S)-1-(phenylmethyl)piperidin-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-(4-methylphenyl)-2-[(2S)-1-(phenylmethyl)piperidin-2-yl]ethanoate Openeye Name: methyl (2S)-2-[(2S)-1-benzyl-2-piperidyl]-2-(p-tolyl)acetate CAS Name: (2S)-2-(4-methylphenyl)-2-[(2S)-1-(phenylmethyl)-2-piperidinyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-[(2S)-1-benzylpiperidin-2-yl]-2-(4-methylphenyl)acetate Traditional Name: (2S)-2-[(2S)-1-benzyl-2-piperidyl]-2-(p-tolyl)acetic acid methyl ester Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CCCCN2CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]([C@@H]2CCCCN2CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H27NO2/c1-17-11-13-19(14-12-17)21(22(24)25-2)20-10-6-7-15-23(20)16-18-8-4-3-5-9-18/h3-5,8-9,11-14,20-21H,6-7,10,15-16H2,1-2H3/t20-,21-/m0/s1