2-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid Openeye Name: 2-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid CAS Name: 2-[[3-(1-imidazolyl)propylamino]-oxomethyl]benzoic acid IUPAC Name: 2-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid Traditional Name: 2-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCN2C=CN=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCN2C=CN=C2)C(=O)O

InChI

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