2-[3-imidazol-1-ylpropanoyl(methyl)amino]benzoate

Systemtic Name: 2-[3-imidazol-1-ylpropanoyl(methyl)amino]benzoate Openeye Name: 2-[3-imidazol-1-ylpropanoyl(methyl)amino]benzoate CAS Name: 2-[[3-(1-imidazolyl)-1-oxopropyl]-methylamino]benzoate IUPAC Name: 2-[3-imidazol-1-ylpropanoyl(methyl)amino]benzoate Traditional Name: 2-[3-imidazol-1-ylpropanoyl(methyl)amino]benzoate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)[O-])C(=O)CCN2C=CN=C2

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)[O-])C(=O)CCN2C=CN=C2

InChI

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