1-(2-chlorophenyl)-2-[1-(dimethylamino)propan-2-yl]-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(2-chlorophenyl)-2-[1-(dimethylamino)propan-2-yl]-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-(2-chlorophenyl)-2-[2-(dimethylamino)-1-methyl-ethyl]-1H-isoquinoline-4-carboxylic acid CAS Name: 1-(2-chlorophenyl)-2-[1-(dimethylamino)propan-2-yl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-(2-chlorophenyl)-2-[1-(dimethylamino)propan-2-yl]-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-(2-chlorophenyl)-2-[2-(dimethylamino)-1-methyl-ethyl]-1H-isoquinoline-4-carboxylic acid Formula: C21H23ClN2O2 MolecularWeight: 370.87252

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)N1C=C(C2=CC=CC=C2C1C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CC(CN(C)C)N1C=C(C2=CC=CC=C2C1C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C21H23ClN2O2/c1-14(12-23(2)3)24-13-18(21(25)26)15-8-4-5-9-16(15)20(24)17-10-6-7-11-19(17)22/h4-11,13-14,20H,12H2,1-3H3,(H,25,26)