methyl 2-methoxy-5-[[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzoate Traditional Name: 5-[[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCCN2C3=CC=CC=C3OC2=O)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCCN2C3=CC=CC=C3OC2=O)C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-27-17-10-9-14(12-15(17)20(25)28-2)13-22-19(24)8-5-11-23-16-6-3-4-7-18(16)29-21(23)26/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,22,24)