ethyl 5-[3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate

Systemtic Name: ethyl 5-[3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Openeye Name: ethyl 5-[3-(benzotriazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[3-(1-benzotriazolyl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(benzotriazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[3-(benzotriazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C4=CC=CC=C4N=N3)O)C5=CC=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C4=CC=CC=C4N=N3)O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C28H28N4O4/c1-4-35-28(34)27-19(3)32(20-11-9-18(2)10-12-20)25-14-13-22(15-23(25)27)36-17-21(33)16-31-26-8-6-5-7-24(26)29-30-31/h5-15,21,33H,4,16-17H2,1-3H3