[1-(2-methoxy-4-pyrrolidin-1-yl-phenyl)-3-oxidanylidene-2-benzofuran-1-yl] ethanoate

Systemtic Name: [1-(2-methoxy-4-pyrrolidin-1-yl-phenyl)-3-oxidanylidene-2-benzofuran-1-yl] ethanoate Openeye Name: [1-(2-methoxy-4-pyrrolidin-1-yl-phenyl)-3-oxo-isobenzofuran-1-yl] acetate CAS Name: acetic acid [1-[2-methoxy-4-(1-pyrrolidinyl)phenyl]-3-oxo-1-isobenzofuranyl] ester IUPAC Name: [1-(2-methoxy-4-pyrrolidin-1-ylphenyl)-3-oxo-2-benzofuran-1-yl] acetate Traditional Name: acetic acid [3-keto-1-(2-methoxy-4-pyrrolidino-phenyl)phthalan-1-yl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C2=CC=CC=C2C(=O)O1)C3=C(C=C(C=C3)N4CCCC4)OC

Isomeric SMILES

CC(=O)OC1(C2=CC=CC=C2C(=O)O1)C3=C(C=C(C=C3)N4CCCC4)OC

InChI

InChI=1S/C21H21NO5/c1-14(23)26-21(17-8-4-3-7-16(17)20(24)27-21)18-10-9-15(13-19(18)25-2)22-11-5-6-12-22/h3-4,7-10,13H,5-6,11-12H2,1-2H3