[5-chloranyl-2,7-dimethyl-6,8-bis(oxidanylidene)-3-(3-oxidanylpropyl)isoquinolin-7-yl] butanoate

Systemtic Name: [5-chloranyl-2,7-dimethyl-6,8-bis(oxidanylidene)-3-(3-oxidanylpropyl)isoquinolin-7-yl] butanoate Openeye Name: [5-chloro-3-(3-hydroxypropyl)-2,7-dimethyl-6,8-dioxo-7-isoquinolyl] butanoate CAS Name: butanoic acid [5-chloro-3-(3-hydroxypropyl)-2,7-dimethyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [5-chloro-3-(3-hydroxypropyl)-2,7-dimethyl-6,8-dioxoisoquinolin-7-yl] butanoate Traditional Name: butyric acid [5-chloro-3-(3-hydroxypropyl)-6,8-diketo-2,7-dimethyl-7-isoquinolyl] ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(C(=O)C2=CN(C(=CC2=C(C1=O)Cl)CCCO)C)C

Isomeric SMILES

CCCC(=O)OC1(C(=O)C2=CN(C(=CC2=C(C1=O)Cl)CCCO)C)C

InChI

InChI=1S/C18H22ClNO5/c1-4-6-14(22)25-18(2)16(23)13-10-20(3)11(7-5-8-21)9-12(13)15(19)17(18)24/h9-10,21H,4-8H2,1-3H3