4-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 4-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-[1-(4-cyclohexylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid CAS Name: 4-[[4-[1-(4-cyclohexylphenyl)ethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-[1-(4-cyclohexylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-[1-(4-cyclohexylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CCCCC2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2CCCCC2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H32N2O3/c1-19(20-7-9-22(10-8-20)21-5-3-2-4-6-21)27-15-17-28(18-16-27)25(29)23-11-13-24(14-12-23)26(30)31/h7-14,19,21H,2-6,15-18H2,1H3,(H,30,31)