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

Systemtic Name: 2-[[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]propanoic acid CAS Name: 2-[[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoic acid Traditional Name: 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]propionic acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C[C@@H]1CN(CC[C@]1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19?,23+/m1/s1