2-[[2-(4-chloranyl-1H-imidazol-5-yl)ethanoyloxy-phenyl-methyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(4-chloranyl-1H-imidazol-5-yl)ethanoyloxy-phenyl-methyl]carbamoyl]benzoic acid Openeye Name: 2-[[[2-(4-chloro-1H-imidazol-5-yl)acetyl]oxy-phenyl-methyl]carbamoyl]benzoic acid CAS Name: 2-[[[[2-(4-chloro-1H-imidazol-5-yl)-1-oxoethoxy]-phenylmethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[[2-(4-chloro-1H-imidazol-5-yl)acetyl]oxy-phenylmethyl]carbamoyl]benzoic acid Traditional Name: 2-[[[2-(4-chloro-1H-imidazol-5-yl)acetyl]oxy-phenyl-methyl]carbamoyl]benzoic acid Formula: C20H16ClN3O5 MolecularWeight: 413.81114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC(=O)C2=CC=CC=C2C(=O)O)OC(=O)CC3=C(N=CN3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(NC(=O)C2=CC=CC=C2C(=O)O)OC(=O)CC3=C(N=CN3)Cl

InChI

InChI=1S/C20H16ClN3O5/c21-17-15(22-11-23-17)10-16(25)29-19(12-6-2-1-3-7-12)24-18(26)13-8-4-5-9-14(13)20(27)28/h1-9,11,19H,10H2,(H,22,23)(H,24,26)(H,27,28)