ethyl 2-(2-oxidanyl-5-propyl-phenyl)-6-[[(phenylmethyl)amino]carbamoyl]benzotriazole-5-carboxylate

Systemtic Name: ethyl 2-(2-oxidanyl-5-propyl-phenyl)-6-[[(phenylmethyl)amino]carbamoyl]benzotriazole-5-carboxylate Openeye Name: ethyl 6-[(benzylamino)carbamoyl]-2-(2-hydroxy-5-propyl-phenyl)benzotriazole-5-carboxylate CAS Name: 2-(2-hydroxy-5-propylphenyl)-6-[oxo-[(phenylmethyl)hydrazo]methyl]-5-benzotriazolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(benzylamino)carbamoyl]-2-(2-hydroxy-5-propylphenyl)benzotriazole-5-carboxylate Traditional Name: 6-[(benzylamino)carbamoyl]-2-(2-hydroxy-5-propyl-phenyl)benzotriazole-5-carboxylic acid ethyl ester Formula: C26H27N5O4 MolecularWeight: 473.52368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)O)N2N=C3C=C(C(=CC3=N2)C(=O)OCC)C(=O)NNCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=C(C=C1)O)N2N=C3C=C(C(=CC3=N2)C(=O)OCC)C(=O)NNCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O4/c1-3-8-17-11-12-24(32)23(13-17)31-29-21-14-19(20(15-22(21)30-31)26(34)35-4-2)25(33)28-27-16-18-9-6-5-7-10-18/h5-7,9-15,27,32H,3-4,8,16H2,1-2H3,(H,28,33)