2-[2-(dipropylamino)ethyl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCN1C=C(C2=CC=CC=C2C1C3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CCCN(CCC)CCN1C=C(C2=CC=CC=C2C1C3=CC=CC=C3C)C(=O)O

InChI

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