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

Systemtic Name: methyl 4,5-dimethoxy-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate Traditional Name: 2-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-27-17-11-13(20(25)29-3)14(12-18(17)28-2)22-19(24)9-6-10-23-15-7-4-5-8-16(15)30-21(23)26/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,22,24)