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

Systemtic Name: 3-(3-imidazol-1-ylpropanoylamino)-4-methyl-benzoate Openeye Name: 3-(3-imidazol-1-ylpropanoylamino)-4-methyl-benzoate CAS Name: 3-[[3-(1-imidazolyl)-1-oxopropyl]amino]-4-methylbenzoate IUPAC Name: 3-(3-imidazol-1-ylpropanoylamino)-4-methylbenzoate Traditional Name: 3-(3-imidazol-1-ylpropanoylamino)-4-methyl-benzoate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCN2C=CN=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCN2C=CN=C2

InChI

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