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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

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