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

Systemtic Name: [2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[benzyl(2-methoxyethyl)amino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[benzyl(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(CCOC)CC3=CC=CC=C3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(CCOC)CC3=CC=CC=C3)N=N1

InChI

InChI=1S/C21H24N4O4/c1-3-25-19-10-9-17(13-18(19)22-23-25)21(27)29-15-20(26)24(11-12-28-2)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14-15H2,1-2H3