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

Systemtic Name: methyl 4-[5-chloranyl-2-[(cyclopropylcarbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 4-[5-chloro-2-[(cyclopropanecarbonylamino)methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 4-[5-chloro-2-[[[cyclopropyl(oxo)methyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-chloro-2-[(cyclopropanecarbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 4-[5-chloro-2-[(cyclopropanecarbonylamino)methyl]coumaran-7-yl]benzoic acid methyl ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)C4CC4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)C4CC4)Cl

InChI

InChI=1S/C21H20ClNO4/c1-26-21(25)14-6-2-12(3-7-14)18-10-16(22)8-15-9-17(27-19(15)18)11-23-20(24)13-4-5-13/h2-3,6-8,10,13,17H,4-5,9,11H2,1H3,(H,23,24)