methyl 2-[[4-(imidazol-1-ylmethyl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[4-(imidazol-1-ylmethyl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[4-(1-imidazolylmethyl)phenyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3C=CN=C3)OC

InChI

InChI=1S/C21H21N3O5/c1-27-18-10-16(21(26)29-3)17(11-19(18)28-2)23-20(25)15-6-4-14(5-7-15)12-24-9-8-22-13-24/h4-11,13H,12H2,1-3H3,(H,23,25)