2-[5-[[2-(benzotriazol-2-yl)-4-chloranyl-phenoxy]methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[[2-(benzotriazol-2-yl)-4-chloranyl-phenoxy]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[5-[[2-(benzotriazol-2-yl)-4-chloro-phenoxy]methyl]indol-1-yl]acetic acid CAS Name: 2-[5-[[2-(2-benzotriazolyl)-4-chlorophenoxy]methyl]-1-indolyl]acetic acid IUPAC Name: 2-[5-[[2-(benzotriazol-2-yl)-4-chlorophenoxy]methyl]indol-1-yl]acetic acid Traditional Name: 2-[5-[[2-(benzotriazol-2-yl)-4-chloro-phenoxy]methyl]indol-1-yl]acetic acid Formula: C23H17ClN4O3 MolecularWeight: 432.85908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)Cl)OCC4=CC5=C(C=C4)N(C=C5)CC(=O)O

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)Cl)OCC4=CC5=C(C=C4)N(C=C5)CC(=O)O

InChI

InChI=1S/C23H17ClN4O3/c24-17-6-8-22(21(12-17)28-25-18-3-1-2-4-19(18)26-28)31-14-15-5-7-20-16(11-15)9-10-27(20)13-23(29)30/h1-12H,13-14H2,(H,29,30)