[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C26H26N4O3/c1-2-30-24-14-13-22(17-23(24)27-28-30)26(32)33-19-25(31)29(18-21-11-7-4-8-12-21)16-15-20-9-5-3-6-10-20/h3-14,17H,2,15-16,18-19H2,1H3