2-(4-imidazol-1-ylbutylcarbamoyl)benzoic acid

Systemtic Name: 2-(4-imidazol-1-ylbutylcarbamoyl)benzoic acid Openeye Name: 2-(4-imidazol-1-ylbutylcarbamoyl)benzoic acid CAS Name: 2-[[4-(1-imidazolyl)butylamino]-oxomethyl]benzoic acid IUPAC Name: 2-(4-imidazol-1-ylbutylcarbamoyl)benzoic acid Traditional Name: 2-(4-imidazol-1-ylbutylcarbamoyl)benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCN2C=CN=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCN2C=CN=C2)C(=O)O

InChI

InChI=1S/C15H17N3O3/c19-14(12-5-1-2-6-13(12)15(20)21)17-7-3-4-9-18-10-8-16-11-18/h1-2,5-6,8,10-11H,3-4,7,9H2,(H,17,19)(H,20,21)