[1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(1H-imidazol-2-yl)benzoate

Systemtic Name: [1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(1H-imidazol-2-yl)benzoate Openeye Name: 1-[(3-chloro-4-methoxy-phenyl)carbamoyl]propyl 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(1H-imidazol-2-yl)benzoic acid [1-(3-chloro-4-methoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methoxyanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid 1-[(3-chloro-4-methoxy-phenyl)carbamoyl]propyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-3-17(20(26)25-15-8-9-18(28-2)16(22)12-15)29-21(27)14-6-4-13(5-7-14)19-23-10-11-24-19/h4-12,17H,3H2,1-2H3,(H,23,24)(H,25,26)