2-[4-[[4-methyl-5-oxidanylidene-2-(propylamino)-4H-imidazol-3-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-methyl-5-oxidanylidene-2-(propylamino)-4H-imidazol-3-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-methyl-5-oxo-2-(propylamino)-4H-imidazol-3-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-methyl-5-oxo-2-(propylamino)-4H-imidazol-3-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-methyl-5-oxo-2-(propylamino)-4H-imidazol-3-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-keto-5-methyl-2-(propylamino)-2-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=O)C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCCNC1=NC(=O)C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C21H23N3O3/c1-3-12-22-21-23-19(25)14(2)24(21)13-15-8-10-16(11-9-15)17-6-4-5-7-18(17)20(26)27/h4-11,14H,3,12-13H2,1-2H3,(H,26,27)(H,22,23,25)