methyl 2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1H-benzimidazole-4-carboxylate Openeye Name: methyl 2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[(1R,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1H-benzimidazole-4-carboxylic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC2C3=NC4=C(C=CC=C4N3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2C[C@H]2C3=NC4=C(C=CC=C4N3)C(=O)OC)OC

InChI

InChI=1S/C20H20N2O4/c1-24-16-8-7-11(9-17(16)25-2)13-10-14(13)19-21-15-6-4-5-12(18(15)22-19)20(23)26-3/h4-9,13-14H,10H2,1-3H3,(H,21,22)/t13-,14-/m1/s1