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

Systemtic Name: methyl 4-chloranyl-3-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate CAS Name: 4-chloro-3-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate Traditional Name: 4-chloro-3-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]benzoic acid methyl ester Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C19H17ClN2O5/c1-26-18(24)12-8-9-13(20)14(11-12)21-17(23)7-4-10-22-15-5-2-3-6-16(15)27-19(22)25/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,23)