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

Systemtic Name: methyl 4-[(2R)-5-chloranyl-2-[(2-cyclopropylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 4-[(2R)-5-chloro-2-[[(2-cyclopropylacetyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 4-[(2R)-5-chloro-2-[[(2-cyclopropyl-1-oxoethyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-5-chloro-2-[[(2-cyclopropylacetyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 4-[(2R)-5-chloro-2-[[(2-cyclopropylacetyl)amino]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)CC4CC4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2O[C@H](C3)CNC(=O)CC4CC4)Cl

InChI

InChI=1S/C22H22ClNO4/c1-27-22(26)15-6-4-14(5-7-15)19-11-17(23)9-16-10-18(28-21(16)19)12-24-20(25)8-13-2-3-13/h4-7,9,11,13,18H,2-3,8,10,12H2,1H3,(H,24,25)/t18-/m1/s1