2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[2-(diisopropylamino)ethyl]-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[2-(diisopropylamino)ethyl]-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=CC=CC=C3C(=CN2CCN(C(C)C)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C3=CC=CC=C3C(=CN2CCN(C(C)C)C(C)C)C(=O)O

InChI

InChI=1S/C25H32N2O2/c1-17(2)27(18(3)4)15-14-26-16-23(25(28)29)21-12-8-9-13-22(21)24(26)20-11-7-6-10-19(20)5/h6-13,16-18,24H,14-15H2,1-5H3,(H,28,29)