(1S,5R)-5-[4-(phenylmethyl)piperazin-1-yl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,5R)-5-[4-(phenylmethyl)piperazin-1-yl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,5R)-5-(4-benzylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,5R)-5-[4-(phenylmethyl)-1-piperazinyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,5R)-5-(4-benzylpiperazin-1-yl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,5R)-5-(4-benzylpiperazino)cyclohex-3-ene-1-carboxylic acid Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3CC(CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)[C@@H]3C[C@H](CC=C3)C(=O)O

InChI

InChI=1S/C18H24N2O2/c21-18(22)16-7-4-8-17(13-16)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-6,8,16-17H,7,9-14H2,(H,21,22)/t16-,17-/m0/s1