(1S,6S)-6-(4-phenethylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-(4-phenethylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-(4-phenethylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[oxo-(4-phenethyl-1-piperazinyl)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-(4-phenethylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-(4-phenethylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=O)[C@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C20H26N2O3/c23-19(17-8-4-5-9-18(17)20(24)25)22-14-12-21(13-15-22)11-10-16-6-2-1-3-7-16/h1-7,17-18H,8-15H2,(H,24,25)/t17-,18-/m0/s1