methyl 4-(3-imidazol-1-ylpropanoylamino)benzoate

Systemtic Name: methyl 4-(3-imidazol-1-ylpropanoylamino)benzoate Openeye Name: methyl 4-(3-imidazol-1-ylpropanoylamino)benzoate CAS Name: 4-[[3-(1-imidazolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-imidazol-1-ylpropanoylamino)benzoate Traditional Name: 4-(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=C(C=C1)NC(=O)CCN2C=CN=C2

Isomeric SMILES

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

InChI

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