2-[(1S)-2-(2-chloranylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(1S)-2-(2-chloranylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(1S)-2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-hydroxy-cyclohex-2-en-1-one CAS Name: 2-[(1S)-2-(2-chloro-1-oxoethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 2-[(1S)-2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-hydroxycyclohex-2-en-1-one Traditional Name: 2-[(1S)-2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-hydroxy-cyclohex-2-en-1-one Formula: C19H22ClNO5 MolecularWeight: 379.83468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCl)C3=C(CCCC3=O)O)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)CCl)C3=C(CCCC3=O)O)OC

InChI

InChI=1S/C19H22ClNO5/c1-25-15-8-11-6-7-21(17(24)10-20)19(12(11)9-16(15)26-2)18-13(22)4-3-5-14(18)23/h8-9,19,22H,3-7,10H2,1-2H3/t19-/m0/s1