3-[2-(4-cyclohexylphenyl)-5-methyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-(4-cyclohexylphenyl)-5-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(4-cyclohexylphenyl)-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-(4-cyclohexylphenyl)-5-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-(4-cyclohexylphenyl)-5-methylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(4-cyclohexylphenyl)-5-methyl-pyrrol-1-yl]benzoic acid Formula: C24H25NO2 MolecularWeight: 359.4608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C24H25NO2/c1-17-10-15-23(25(17)22-9-5-8-21(16-22)24(26)27)20-13-11-19(12-14-20)18-6-3-2-4-7-18/h5,8-16,18H,2-4,6-7H2,1H3,(H,26,27)