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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCN2C=CN=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCN2C=CN=C2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c18-13(5-7-17-8-6-15-10-17)16-9-11-1-3-12(4-2-11)14(19)20/h1-4,6,8,10H,5,7,9H2,(H,16,18)(H,19,20)/p-1