methyl 4-[5-chloranyl-2-[[(4-methoxy-4-oxidanylidene-butanoyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate

Systemtic Name: methyl 4-[5-chloranyl-2-[[(4-methoxy-4-oxidanylidene-butanoyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 4-[5-chloro-2-[[(4-methoxy-4-oxo-butanoyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 4-[5-chloro-2-[[(4-methoxy-1,4-dioxobutyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-chloro-2-[[(4-methoxy-4-oxobutanoyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 4-[5-chloro-2-[[(4-keto-4-methoxy-butanoyl)amino]methyl]coumaran-7-yl]benzoic acid methyl ester Formula: C22H22ClNO6 MolecularWeight: 431.86618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NCC1CC2=C(O1)C(=CC(=C2)Cl)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CCC(=O)NCC1CC2=C(O1)C(=CC(=C2)Cl)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22ClNO6/c1-28-20(26)8-7-19(25)24-12-17-10-15-9-16(23)11-18(21(15)30-17)13-3-5-14(6-4-13)22(27)29-2/h3-6,9,11,17H,7-8,10,12H2,1-2H3,(H,24,25)