ethyl 5-[3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate Openeye Name: ethyl 5-[3-(benzotriazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[3-(1-benzotriazolyl)-2-hydroxypropoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(benzotriazol-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[3-(benzotriazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C4=CC=CC=C4N=N3)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C4=CC=CC=C4N=N3)O)C)C

InChI

InChI=1S/C22H24N4O4/c1-4-29-22(28)21-14(2)25(3)19-10-9-16(11-17(19)21)30-13-15(27)12-26-20-8-6-5-7-18(20)23-24-26/h5-11,15,27H,4,12-13H2,1-3H3