3-(dipropylcarbamoyl)-5-(1H-imidazol-2-yl)benzoic acid

Systemtic Name: 3-(dipropylcarbamoyl)-5-(1H-imidazol-2-yl)benzoic acid Openeye Name: 3-(dipropylcarbamoyl)-5-(1H-imidazol-2-yl)benzoic acid CAS Name: 3-[(dipropylamino)-oxomethyl]-5-(1H-imidazol-2-yl)benzoic acid IUPAC Name: 3-(dipropylcarbamoyl)-5-(1H-imidazol-2-yl)benzoic acid Traditional Name: 3-(dipropylcarbamoyl)-5-(1H-imidazol-2-yl)benzoic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=NC=CN2)C(=O)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=NC=CN2)C(=O)O

InChI

InChI=1S/C17H21N3O3/c1-3-7-20(8-4-2)16(21)13-9-12(15-18-5-6-19-15)10-14(11-13)17(22)23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19)(H,22,23)