2-[[1-(1-oxidanylheptan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-(1-oxidanylheptan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-[1-(hydroxymethyl)hexyl]imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-[[[1-(1-hydroxyheptan-2-yl)-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(1-hydroxyheptan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-(1-methylolhexyl)imidazol-4-yl]carbamoyl]benzoic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CO)N1C=C(N=C1)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCC(CO)N1C=C(N=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H23N3O4/c1-2-3-4-7-13(11-22)21-10-16(19-12-21)20-17(23)14-8-5-6-9-15(14)18(24)25/h5-6,8-10,12-13,22H,2-4,7,11H2,1H3,(H,20,23)(H,24,25)