methyl 4-[5-chloranyl-2-[(cyclobutylcarbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate

Systemtic Name: methyl 4-[5-chloranyl-2-[(cyclobutylcarbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 4-[5-chloro-2-[(cyclobutanecarbonylamino)methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 4-[5-chloro-2-[[[cyclobutyl(oxo)methyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-chloro-2-[(cyclobutanecarbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 4-[5-chloro-2-[(cyclobutanecarbonylamino)methyl]coumaran-7-yl]benzoic acid methyl ester Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)C4CCC4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)C4CCC4)Cl

InChI

InChI=1S/C22H22ClNO4/c1-27-22(26)15-7-5-13(6-8-15)19-11-17(23)9-16-10-18(28-20(16)19)12-24-21(25)14-3-2-4-14/h5-9,11,14,18H,2-4,10,12H2,1H3,(H,24,25)