4-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxy-phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxy-phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxy-phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(4,4-diethyl-1-cyclohexenyl)-5-methoxyphenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxy-phenyl]piperazine-1-carboxylic acid Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(=CC1)C2=C(C=C(C=C2)OC)N3CCN(CC3)C(=O)O)CC

Isomeric SMILES

CCC1(CCC(=CC1)C2=C(C=C(C=C2)OC)N3CCN(CC3)C(=O)O)CC

InChI

InChI=1S/C22H32N2O3/c1-4-22(5-2)10-8-17(9-11-22)19-7-6-18(27-3)16-20(19)23-12-14-24(15-13-23)21(25)26/h6-8,16H,4-5,9-15H2,1-3H3,(H,25,26)