ethyl 3-[4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoylamino]benzoate

Systemtic Name: ethyl 3-[4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoylamino]benzoate Openeye Name: ethyl 3-[4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]benzoate CAS Name: 3-[[4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]benzoate Traditional Name: 3-[4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)butanoylamino]benzoic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C

InChI

InChI=1S/C22H24N2O5/c1-3-28-22(27)16-6-4-7-17(13-16)23-20(25)8-5-11-24-18-12-15(2)9-10-19(18)29-14-21(24)26/h4,6-7,9-10,12-13H,3,5,8,11,14H2,1-2H3,(H,23,25)