[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(1H-imidazol-2-yl)benzoate

Systemtic Name: [1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(1H-imidazol-2-yl)benzoate Openeye Name: 1-[(5-chloro-2-methyl-phenyl)carbamoyl]propyl 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(1H-imidazol-2-yl)benzoic acid [1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid 1-[(5-chloro-2-methyl-phenyl)carbamoyl]propyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c1-3-18(20(26)25-17-12-16(22)9-4-13(17)2)28-21(27)15-7-5-14(6-8-15)19-23-10-11-24-19/h4-12,18H,3H2,1-2H3,(H,23,24)(H,25,26)