1-chloranyl-2-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-chloranyl-2-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-chloro-2-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid CAS Name: 1-chloro-2-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-chloro-2-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-chloro-2-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid Formula: C24H21ClFNO4 MolecularWeight: 441.879243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(C(C3=CC=CC=C3C2Cl)C(=O)O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(C(C3=CC=CC=C3C2Cl)C(=O)O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C24H21ClFNO4/c1-30-16-11-12-19(20(13-16)31-2)27-22(14-7-9-15(26)10-8-14)21(24(28)29)17-5-3-4-6-18(17)23(27)25/h3-13,21-23H,1-2H3,(H,28,29)