6-methyl-1-(2-methylphenyl)-2-[2-(propan-2-ylamino)ethyl]-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 6-methyl-1-(2-methylphenyl)-2-[2-(propan-2-ylamino)ethyl]-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[2-(isopropylamino)ethyl]-6-methyl-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 6-methyl-1-(2-methylphenyl)-2-[2-(propan-2-ylamino)ethyl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 6-methyl-1-(2-methylphenyl)-2-[2-(propan-2-ylamino)ethyl]-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[2-(isopropylamino)ethyl]-6-methyl-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(N(C=C2C(=O)O)CCNC(C)C)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=C(C=C1)C(N(C=C2C(=O)O)CCNC(C)C)C3=CC=CC=C3C

InChI

InChI=1S/C23H28N2O2/c1-15(2)24-11-12-25-14-21(23(26)27)20-13-16(3)9-10-19(20)22(25)18-8-6-5-7-17(18)4/h5-10,13-15,22,24H,11-12H2,1-4H3,(H,26,27)