1-methoxy-3-(3-pyrrolidin-1-ylpropanoyl)-1H-benzo[g]isochromene-5,10-dione hydrochloride

Systemtic Name: 1-methoxy-3-(3-pyrrolidin-1-ylpropanoyl)-1H-benzo[g]isochromene-5,10-dione hydrochloride Openeye Name: 1-methoxy-3-(3-pyrrolidin-1-ylpropanoyl)-1H-benzo[g]isochromene-5,10-dione hydrochloride CAS Name: 1-methoxy-3-[1-oxo-3-(1-pyrrolidinyl)propyl]-1H-benzo[g][2]benzopyran-5,10-dione hydrochloride IUPAC Name: 1-methoxy-3-(3-pyrrolidin-1-ylpropanoyl)-1H-benzo[g]isochromene-5,10-dione hydrochloride Traditional Name: 1-methoxy-3-(3-pyrrolidinopropanoyl)-1H-benz[g]isochromene-5,10-quinone hydrochloride Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=C(C=C(O1)C(=O)CCN3CCCC3)C(=O)C4=CC=CC=C4C2=O.Cl

Isomeric SMILES

COC1C2=C(C=C(O1)C(=O)CCN3CCCC3)C(=O)C4=CC=CC=C4C2=O.Cl

InChI

InChI=1S/C21H21NO5.ClH/c1-26-21-18-15(19(24)13-6-2-3-7-14(13)20(18)25)12-17(27-21)16(23)8-11-22-9-4-5-10-22;/h2-3,6-7,12,21H,4-5,8-11H2,1H3;1H