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

Systemtic Name: methyl 3-[(2R)-7-chloranyl-2-[(propanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Openeye Name: methyl 3-[(2R)-7-chloro-2-[(propanoylamino)methyl]-2,3-dihydrobenzofuran-5-yl]benzoate CAS Name: 3-[(2R)-7-chloro-2-[(1-oxopropylamino)methyl]-2,3-dihydrobenzofuran-5-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2R)-7-chloro-2-[(propanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Traditional Name: 3-[(2R)-7-chloro-2-(propionamidomethyl)coumaran-5-yl]benzoic acid methyl ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)C3=CC(=CC=C3)C(=O)OC)Cl

InChI

InChI=1S/C20H20ClNO4/c1-3-18(23)22-11-16-9-15-8-14(10-17(21)19(15)26-16)12-5-4-6-13(7-12)20(24)25-2/h4-8,10,16H,3,9,11H2,1-2H3,(H,22,23)/t16-/m1/s1