methyl 2-[4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoylamino]benzoate

Systemtic Name: methyl 2-[4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]benzoate CAS Name: 2-[[4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]benzoate Traditional Name: 2-[4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)butanoylamino]benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H22N2O5/c1-14-9-10-18-17(12-14)23(20(25)13-28-18)11-5-8-19(24)22-16-7-4-3-6-15(16)21(26)27-2/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,22,24)