[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H26N4O4/c1-14(19(26)21-13-15-7-3-2-4-8-15)28-18(25)11-12-24-20(27)16-9-5-6-10-17(16)22-23-24/h5-6,9-10,14-15H,2-4,7-8,11-13H2,1H3,(H,21,26)