1-phenylbutyl 1-(benzotriazol-1-yl)-3-methyl-indole-6-carboxylate

Systemtic Name: 1-phenylbutyl 1-(benzotriazol-1-yl)-3-methyl-indole-6-carboxylate Openeye Name: 1-phenylbutyl 1-(benzotriazol-1-yl)-3-methyl-indole-6-carboxylate CAS Name: 1-(1-benzotriazolyl)-3-methyl-6-indolecarboxylic acid 1-phenylbutyl ester IUPAC Name: 1-phenylbutyl 1-(benzotriazol-1-yl)-3-methylindole-6-carboxylate Traditional Name: 1-(benzotriazol-1-yl)-3-methyl-indole-6-carboxylic acid 1-phenylbutyl ester Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=CN3N4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=CN3N4C5=CC=CC=C5N=N4)C

InChI

InChI=1S/C26H24N4O2/c1-3-9-25(19-10-5-4-6-11-19)32-26(31)20-14-15-21-18(2)17-29(24(21)16-20)30-23-13-8-7-12-22(23)27-28-30/h4-8,10-17,25H,3,9H2,1-2H3