[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(cyclooctylamino)-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 [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H26N4O4/c25-18(21-15-8-4-2-1-3-5-9-15)14-28-19(26)12-13-24-20(27)16-10-6-7-11-17(16)22-23-24/h6-7,10-11,15H,1-5,8-9,12-14H2,(H,21,25)