2-[4-[(2-butyl-4-cyclopentyl-4-methyl-5-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-4-cyclopentyl-4-methyl-5-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4-cyclopentyl-4-methyl-5-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4-cyclopentyl-4-methyl-5-oxo-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4-cyclopentyl-4-methyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-cyclopentyl-5-keto-4-methyl-2-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(C)C4CCCC4

Isomeric SMILES

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(C)C4CCCC4

InChI

InChI=1S/C27H32N2O3/c1-3-4-13-24-28-27(2,21-9-5-6-10-21)26(32)29(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25(30)31/h7-8,11-12,14-17,21H,3-6,9-10,13,18H2,1-2H3,(H,30,31)