(3-oxidanylidene-1H-2-benzofuran-1-yl) 2-[3-chloranyl-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 2-[3-chloranyl-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate CAS Name: 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate Traditional Name: 2-[3-chloro-4-(3-pyrrolin-1-yl)phenyl]propionic acid phthalidyl ester Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CC=CC2)Cl)C(=O)OC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2CC=CC2)Cl)C(=O)OC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H18ClNO4/c1-13(14-8-9-18(17(22)12-14)23-10-4-5-11-23)19(24)26-21-16-7-3-2-6-15(16)20(25)27-21/h2-9,12-13,21H,10-11H2,1H3