[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-4-26-19-10-7-16(12-18(19)24-25-26)22(29)30-13-20(27)15-5-8-17(9-6-15)23-21(28)11-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,28)