[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(C3CCCCC3)C4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(C3CCCCC3)C4=CC=CC=C4)N=N1

InChI

InChI=1S/C23H26N4O3/c1-2-26-21-14-13-17(15-20(21)24-25-26)23(29)30-16-22(28)27(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19H,2,4,7-8,11-12,16H2,1H3