1-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]-1H-isoquinoline-4-carboxylic acid CAS Name: 1-(2-fluorophenyl)-2-[(1-methyl-3-pyrrolidinyl)methyl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]-1H-isoquinoline-4-carboxylic acid Formula: C22H23FN2O2 MolecularWeight: 366.428623

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)CN2C=C(C3=CC=CC=C3C2C4=CC=CC=C4F)C(=O)O

Isomeric SMILES

CN1CCC(C1)CN2C=C(C3=CC=CC=C3C2C4=CC=CC=C4F)C(=O)O

InChI

InChI=1S/C22H23FN2O2/c1-24-11-10-15(12-24)13-25-14-19(22(26)27)16-6-2-3-7-17(16)21(25)18-8-4-5-9-20(18)23/h2-9,14-15,21H,10-13H2,1H3,(H,26,27)