(1S,6R)-6-[4-(phenylmethyl)piperidin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[4-(phenylmethyl)piperidin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C20H25NO3/c22-19(17-8-4-5-9-18(17)20(23)24)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-7,16-18H,8-14H2,(H,23,24)/t17-,18+/m1/s1