[1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3-chloro-2-methyl-phenyl)carbamoyl]propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-(3-chloro-2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-2-methylanilino)-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-[(3-chloro-2-methyl-phenyl)carbamoyl]propyl ester Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O3/c1-3-22(24(30)29-19-11-7-10-18(26)15(19)2)32-25(31)17-12-13-20-21(14-17)28-23(27-20)16-8-5-4-6-9-16/h4-14,22H,3H2,1-2H3,(H,27,28)(H,29,30)