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

Systemtic Name: [1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1H-imidazol-2-yl)benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(1H-imidazol-2-yl)benzoic acid [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CC=C(C=C2)C3=NC=CN3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CC=C(C=C2)C3=NC=CN3

InChI

InChI=1S/C21H21N3O5/c1-13(20(25)24-16-10-17(27-2)12-18(11-16)28-3)29-21(26)15-6-4-14(5-7-15)19-22-8-9-23-19/h4-13H,1-3H3,(H,22,23)(H,24,25)