[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(3,3-diphenylpropylamino)-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)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)N=N1

Isomeric SMILES

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

InChI

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