4-[3-cyclohexyl-3-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propyl]benzoic acid

Systemtic Name: 4-[3-cyclohexyl-3-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propyl]benzoic acid Openeye Name: 4-[3-cyclohexyl-3-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propyl]benzoic acid CAS Name: 4-[3-cyclohexyl-3-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propyl]benzoic acid IUPAC Name: 4-[3-cyclohexyl-3-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propyl]benzoic acid Traditional Name: 4-[3-cyclohexyl-3-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propyl]benzoic acid Formula: C29H34N2O2 MolecularWeight: 442.59246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CCC2=CC=C(C=C2)C(=O)O)C3=C4CCCCC4=NN3C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(CCC2=CC=C(C=C2)C(=O)O)C3=C4CCCCC4=NN3C5=CC=CC=C5

InChI

InChI=1S/C29H34N2O2/c32-29(33)23-18-15-21(16-19-23)17-20-25(22-9-3-1-4-10-22)28-26-13-7-8-14-27(26)30-31(28)24-11-5-2-6-12-24/h2,5-6,11-12,15-16,18-19,22,25H,1,3-4,7-10,13-14,17,20H2,(H,32,33)