2-[4-[[4-methyl-5-(3-methylbutyl)-2-oxidanylidene-3-phenethyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-methyl-5-(3-methylbutyl)-2-oxidanylidene-3-phenethyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-isopentyl-4-methyl-2-oxo-3-phenethyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-methyl-5-(3-methylbutyl)-2-oxo-3-phenethyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-methyl-5-(3-methylbutyl)-2-oxo-3-phenethylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-isoamyl-2-keto-4-methyl-3-phenethyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N1CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)CCC(C)C

Isomeric SMILES

CC1=C(N(C(=O)N1CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)CCC(C)C

InChI

InChI=1S/C31H34N2O3/c1-22(2)13-18-29-23(3)32(20-19-24-9-5-4-6-10-24)31(36)33(29)21-25-14-16-26(17-15-25)27-11-7-8-12-28(27)30(34)35/h4-12,14-17,22H,13,18-21H2,1-3H3,(H,34,35)