ethyl 6-(benzamidocarbamoyl)-2-(2-oxidanyl-5-propyl-phenyl)benzotriazole-5-carboxylate

Systemtic Name: ethyl 6-(benzamidocarbamoyl)-2-(2-oxidanyl-5-propyl-phenyl)benzotriazole-5-carboxylate Openeye Name: ethyl 6-(benzamidocarbamoyl)-2-(2-hydroxy-5-propyl-phenyl)benzotriazole-5-carboxylate CAS Name: 6-[(benzoylhydrazo)-oxomethyl]-2-(2-hydroxy-5-propylphenyl)-5-benzotriazolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzamidocarbamoyl)-2-(2-hydroxy-5-propylphenyl)benzotriazole-5-carboxylate Traditional Name: 6-(benzamidocarbamoyl)-2-(2-hydroxy-5-propyl-phenyl)benzotriazole-5-carboxylic acid ethyl ester Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)O)N2N=C3C=C(C(=CC3=N2)C(=O)OCC)C(=O)NNC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=C(C=C1)O)N2N=C3C=C(C(=CC3=N2)C(=O)OCC)C(=O)NNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O5/c1-3-8-16-11-12-23(32)22(13-16)31-29-20-14-18(19(15-21(20)30-31)26(35)36-4-2)25(34)28-27-24(33)17-9-6-5-7-10-17/h5-7,9-15,32H,3-4,8H2,1-2H3,(H,27,33)(H,28,34)