1-(2-methylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(2-methylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-(o-tolyl)-2-(2-pyrrolidin-1-ylethyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 1-(2-methylphenyl)-2-[2-(1-pyrrolidinyl)ethyl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-(2-methylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-(o-tolyl)-2-(2-pyrrolidinoethyl)-1H-isoquinoline-4-carboxylic acid Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=CC=CC=C3C(=CN2CCN4CCCC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C3=CC=CC=C3C(=CN2CCN4CCCC4)C(=O)O

InChI

InChI=1S/C23H26N2O2/c1-17-8-2-3-9-18(17)22-20-11-5-4-10-19(20)21(23(26)27)16-25(22)15-14-24-12-6-7-13-24/h2-5,8-11,16,22H,6-7,12-15H2,1H3,(H,26,27)