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

Systemtic Name: 1-(2,3-dimethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-(2,3-dimethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]-1H-isoquinoline-4-carboxylic acid CAS Name: 1-(2,3-dimethylphenyl)-2-[(1-methyl-3-pyrrolidinyl)methyl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-(2,3-dimethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-(2,3-dimethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]-1H-isoquinoline-4-carboxylic acid Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2C3=CC=CC=C3C(=CN2CC4CCN(C4)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1C)C2C3=CC=CC=C3C(=CN2CC4CCN(C4)C)C(=O)O

InChI

InChI=1S/C24H28N2O2/c1-16-7-6-10-19(17(16)2)23-21-9-5-4-8-20(21)22(24(27)28)15-26(23)14-18-11-12-25(3)13-18/h4-10,15,18,23H,11-14H2,1-3H3,(H,27,28)