methyl 3-(3-imidazol-1-ylpropanoylamino)benzoate

Systemtic Name: methyl 3-(3-imidazol-1-ylpropanoylamino)benzoate Openeye Name: methyl 3-(3-imidazol-1-ylpropanoylamino)benzoate CAS Name: 3-[[3-(1-imidazolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(3-imidazol-1-ylpropanoylamino)benzoate Traditional Name: 3-(3-imidazol-1-ylpropanoylamino)benzoic acid methyl ester Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCN2C=CN=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCN2C=CN=C2

InChI

InChI=1S/C14H15N3O3/c1-20-14(19)11-3-2-4-12(9-11)16-13(18)5-7-17-8-6-15-10-17/h2-4,6,8-10H,5,7H2,1H3,(H,16,18)