ethyl 4-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-2-phenyl-butanoate

Systemtic Name: ethyl 4-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-2-phenyl-butanoate Openeye Name: ethyl 4-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]-2-phenyl-butanoate CAS Name: 4-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-2-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanoate Traditional Name: 4-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]-2-phenyl-butyric acid ethyl ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCN1CC[C@]([C@H](C1)C)(C)C2=CC(=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C25H33NO3/c1-4-29-24(28)23(20-9-6-5-7-10-20)13-15-26-16-14-25(3,19(2)18-26)21-11-8-12-22(27)17-21/h5-12,17,19,23,27H,4,13-16,18H2,1-3H3/t19-,23?,25-/m0/s1