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

Systemtic Name: ethyl 2-[[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]-3-phenyl-propanoate Openeye Name: ethyl 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]propanoate CAS Name: 2-[[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate Traditional Name: 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]propionic acid ethyl ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)CN2CCC(C(C2)C)(C)C3=CC(=CC=C3)O

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)CN2CC[C@]([C@@H](C2)C)(C)C3=CC(=CC=C3)O

InChI

InChI=1S/C25H33NO3/c1-4-29-24(28)21(15-20-9-6-5-7-10-20)18-26-14-13-25(3,19(2)17-26)22-11-8-12-23(27)16-22/h5-12,16,19,21,27H,4,13-15,17-18H2,1-3H3/t19-,21?,25+/m1/s1