[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H23N5O4/c1-13(2)22-21(29)23-19(27)14(3)30-20(28)16-10-8-15(9-11-16)12-26-18-7-5-4-6-17(18)24-25-26/h4-11,13-14H,12H2,1-3H3,(H2,22,23,27,29)