2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazin-1-yl-benzoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazin-1-yl-benzoic acid Openeye Name: 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazin-1-yl-benzoic acid CAS Name: 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-(1-piperazinyl)benzoic acid IUPAC Name: 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazin-1-ylbenzoic acid Traditional Name: 2-[4-(4-methoxyphenyl)cyclohexyl]-4-phenyl-3-piperazino-benzoic acid Formula: C30H34N2O3 MolecularWeight: 470.60256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC(CC2)C3=C(C=CC(=C3N4CCNCC4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CCC(CC2)C3=C(C=CC(=C3N4CCNCC4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H34N2O3/c1-35-25-13-11-22(12-14-25)21-7-9-24(10-8-21)28-27(30(33)34)16-15-26(23-5-3-2-4-6-23)29(28)32-19-17-31-18-20-32/h2-6,11-16,21,24,31H,7-10,17-20H2,1H3,(H,33,34)