3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-[1-(4-cyclohexylphenyl)ethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-[1-(4-cyclohexylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-19(20-10-12-22(13-11-20)21-6-3-2-4-7-21)27-14-16-28(17-15-27)25(29)23-8-5-9-24(18-23)26(30)31/h5,8-13,18-19,21H,2-4,6-7,14-17H2,1H3,(H,30,31)