1-(2-methylphenyl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(2-methylphenyl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[(1-isopropylpyrrolidin-2-yl)methyl]-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 1-(2-methylphenyl)-2-[(1-propan-2-yl-2-pyrrolidinyl)methyl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-(2-methylphenyl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[(1-isopropylpyrrolidin-2-yl)methyl]-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=CC=CC=C3C(=CN2CC4CCCN4C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C3=CC=CC=C3C(=CN2CC4CCCN4C(C)C)C(=O)O

InChI

InChI=1S/C25H30N2O2/c1-17(2)27-14-8-10-19(27)15-26-16-23(25(28)29)21-12-6-7-13-22(21)24(26)20-11-5-4-9-18(20)3/h4-7,9,11-13,16-17,19,24H,8,10,14-15H2,1-3H3,(H,28,29)