2-(2-diethylaminoethyl)-6,8-dimethyl-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-(2-diethylaminoethyl)-6,8-dimethyl-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-(2-diethylaminoethyl)-6,8-dimethyl-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 2-(2-diethylaminoethyl)-6,8-dimethyl-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-(2-diethylaminoethyl)-6,8-dimethyl-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-(2-diethylaminoethyl)-6,8-dimethyl-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C2=CC(=CC(=C2C1C3=CC=CC=C3C)C)C)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=C(C2=CC(=CC(=C2C1C3=CC=CC=C3C)C)C)C(=O)O

InChI

InChI=1S/C25H32N2O2/c1-6-26(7-2)12-13-27-16-22(25(28)29)21-15-17(3)14-19(5)23(21)24(27)20-11-9-8-10-18(20)4/h8-11,14-16,24H,6-7,12-13H2,1-5H3,(H,28,29)