methyl 3-[(2S)-7-chloranyl-2-[(furan-3-ylcarbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate

Systemtic Name: methyl 3-[(2S)-7-chloranyl-2-[(furan-3-ylcarbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Openeye Name: methyl 3-[(2S)-7-chloro-2-[(furan-3-carbonylamino)methyl]-2,3-dihydrobenzofuran-5-yl]benzoate CAS Name: 3-[(2S)-7-chloro-2-[[[3-furanyl(oxo)methyl]amino]methyl]-2,3-dihydrobenzofuran-5-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2S)-7-chloro-2-[(furan-3-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Traditional Name: 3-[(2S)-7-chloro-2-[(3-furoylamino)methyl]coumaran-5-yl]benzoic acid methyl ester Formula: C22H18ClNO5 MolecularWeight: 411.83502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)C4=COC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=CC3=C(C(=C2)Cl)O[C@@H](C3)CNC(=O)C4=COC=C4

InChI

InChI=1S/C22H18ClNO5/c1-27-22(26)14-4-2-3-13(7-14)16-8-17-9-18(29-20(17)19(23)10-16)11-24-21(25)15-5-6-28-12-15/h2-8,10,12,18H,9,11H2,1H3,(H,24,25)/t18-/m0/s1