2-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethyl-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethyl-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethyl-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 2-[(1-ethyl-2-pyrrolidinyl)methyl]-6,7-dimethyl-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethyl-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethyl-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN2C=C(C3=CC(=C(C=C3C2C4=CC=CC=C4C)C)C)C(=O)O

Isomeric SMILES

CCN1CCCC1CN2C=C(C3=CC(=C(C=C3C2C4=CC=CC=C4C)C)C)C(=O)O

InChI

InChI=1S/C26H32N2O2/c1-5-27-12-8-10-20(27)15-28-16-24(26(29)30)22-13-18(3)19(4)14-23(22)25(28)21-11-7-6-9-17(21)2/h6-7,9,11,13-14,16,20,25H,5,8,10,12,15H2,1-4H3,(H,29,30)