2-[2-(2-chloranylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione

Systemtic Name: 2-[2-(2-chloranylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione Openeye Name: 2-[2-(2-chloroacetyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione CAS Name: 2-[2-(2-chloro-1-oxoethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione IUPAC Name: 2-[2-(2-chloroacetyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione Traditional Name: 2-[2-(2-chloroacetyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-quinone Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(N(CC2)C(=O)CCl)C3C(=O)CCCC3=O

Isomeric SMILES

COC1=CC2=C(C=C1)C(N(CC2)C(=O)CCl)C3C(=O)CCCC3=O

InChI

InChI=1S/C18H20ClNO4/c1-24-12-5-6-13-11(9-12)7-8-20(16(23)10-19)18(13)17-14(21)3-2-4-15(17)22/h5-6,9,17-18H,2-4,7-8,10H2,1H3