benzotriazol-1-yl 1-heptyl-3-methyl-indole-6-carboxylate

Systemtic Name: benzotriazol-1-yl 1-heptyl-3-methyl-indole-6-carboxylate Openeye Name: benzotriazol-1-yl 1-heptyl-3-methyl-indole-6-carboxylate CAS Name: 1-heptyl-3-methyl-6-indolecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 1-heptyl-3-methylindole-6-carboxylate Traditional Name: 1-heptyl-3-methyl-indole-6-carboxylic acid benzotriazol-1-yl ester Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C(C2=C1C=C(C=C2)C(=O)ON3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CCCCCCCN1C=C(C2=C1C=C(C=C2)C(=O)ON3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C23H26N4O2/c1-3-4-5-6-9-14-26-16-17(2)19-13-12-18(15-22(19)26)23(28)29-27-21-11-8-7-10-20(21)24-25-27/h7-8,10-13,15-16H,3-6,9,14H2,1-2H3