4-[(3-imidazol-1-ylpropanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(3-imidazol-1-ylpropanoylamino)methyl]benzoic acid Openeye Name: 4-[(3-imidazol-1-ylpropanoylamino)methyl]benzoic acid CAS Name: 4-[[[3-(1-imidazolyl)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[(3-imidazol-1-ylpropanoylamino)methyl]benzoic acid Traditional Name: 4-[(3-imidazol-1-ylpropanoylamino)methyl]benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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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)