[1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1H-imidazol-2-yl)benzoate

Systemtic Name: [1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1H-imidazol-2-yl)benzoate Openeye Name: [2-(3,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(1H-imidazol-2-yl)benzoic acid [1-(3,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dimethylanilino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid [2-(3,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3=NC=CN3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3=NC=CN3)C

InChI

InChI=1S/C21H21N3O3/c1-13-10-14(2)12-18(11-13)24-20(25)15(3)27-21(26)17-6-4-16(5-7-17)19-22-8-9-23-19/h4-12,15H,1-3H3,(H,22,23)(H,24,25)