[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C22H22N2O6/c1-15(25)23-12-16-6-8-17(9-7-16)19(26)13-30-22(28)10-11-24-18-4-2-3-5-20(18)29-14-21(24)27/h2-9H,10-14H2,1H3,(H,23,25)