(phenylmethyl) 2-(3-azanyl-4-methoxy-phenyl)-5,6-bis(chloranyl)benzimidazole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(3-azanyl-4-methoxy-phenyl)-5,6-bis(chloranyl)benzimidazole-1-carboxylate Openeye Name: benzyl 2-(3-amino-4-methoxy-phenyl)-5,6-dichloro-benzimidazole-1-carboxylate CAS Name: 2-(3-amino-4-methoxyphenyl)-5,6-dichloro-1-benzimidazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-amino-4-methoxyphenyl)-5,6-dichlorobenzimidazole-1-carboxylate Traditional Name: 2-(3-amino-4-methoxy-phenyl)-5,6-dichloro-benzimidazole-1-carboxylic acid benzyl ester Formula: C22H17Cl2N3O3 MolecularWeight: 442.29468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC(=C(C=C3N2C(=O)OCC4=CC=CC=C4)Cl)Cl)N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC(=C(C=C3N2C(=O)OCC4=CC=CC=C4)Cl)Cl)N

InChI

InChI=1S/C22H17Cl2N3O3/c1-29-20-8-7-14(9-17(20)25)21-26-18-10-15(23)16(24)11-19(18)27(21)22(28)30-12-13-5-3-2-4-6-13/h2-11H,12,25H2,1H3