methyl 5-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[3-(1H-benzimidazol-2-yl)-1-oxopropyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C20H21N3O4/c1-26-17-8-7-13(11-14(17)20(25)27-2)12-21-19(24)10-9-18-22-15-5-3-4-6-16(15)23-18/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,23)