3-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid

Systemtic Name: 3-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid Openeye Name: 3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzoic acid CAS Name: 3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzoic acid IUPAC Name: 3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzoic acid Traditional Name: 3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzoic acid Formula: C17H15Cl2NO2 MolecularWeight: 336.2125

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=CC(=CC(=C2C1)Cl)Cl)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1CC(C2=CC(=CC(=C2C1)Cl)Cl)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H15Cl2NO2/c1-20-8-14(10-3-2-4-11(5-10)17(21)22)13-6-12(18)7-16(19)15(13)9-20/h2-7,14H,8-9H2,1H3,(H,21,22)