3-(2-chloranyl-4-fluoranyl-phenyl)-6,7-diethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(2-chloranyl-4-fluoranyl-phenyl)-6,7-diethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(2-chloro-4-fluoro-phenyl)-6,7-diethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(2-chloro-4-fluorophenyl)-6,7-diethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(2-chloro-4-fluorophenyl)-6,7-diethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(2-chloro-4-fluoro-phenyl)-6,7-diethoxy-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C21H21ClFNO5 MolecularWeight: 421.846543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(C(N(C2=O)C)C3=C(C=C(C=C3)F)Cl)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(C(N(C2=O)C)C3=C(C=C(C=C3)F)Cl)C(=O)O)OCC

InChI

InChI=1S/C21H21ClFNO5/c1-4-28-16-9-13-14(10-17(16)29-5-2)20(25)24(3)19(18(13)21(26)27)12-7-6-11(23)8-15(12)22/h6-10,18-19H,4-5H2,1-3H3,(H,26,27)