benzotriazol-1-yl 4-(3-methylbutanoylamino)benzoate

Systemtic Name: benzotriazol-1-yl 4-(3-methylbutanoylamino)benzoate Openeye Name: benzotriazol-1-yl 4-(3-methylbutanoylamino)benzoate CAS Name: 4-[(3-methyl-1-oxobutyl)amino]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-(3-methylbutanoylamino)benzoate Traditional Name: 4-(isovalerylamino)benzoic acid benzotriazol-1-yl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H18N4O3/c1-12(2)11-17(23)19-14-9-7-13(8-10-14)18(24)25-22-16-6-4-3-5-15(16)20-21-22/h3-10,12H,11H2,1-2H3,(H,19,23)