2-[4-(diethylamino)butan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[4-(diethylamino)butan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[3-(diethylamino)-1-methyl-propyl]-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 2-[4-(diethylamino)butan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[4-(diethylamino)butan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[3-(diethylamino)-1-methyl-propyl]-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)CCC(C)N1C=C(C2=CC=CC=C2C1C3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CCN(CC)CCC(C)N1C=C(C2=CC=CC=C2C1C3=CC=CC=C3C)C(=O)O

InChI

InChI=1S/C25H32N2O2/c1-5-26(6-2)16-15-19(4)27-17-23(25(28)29)21-13-9-10-14-22(21)24(27)20-12-8-7-11-18(20)3/h7-14,17,19,24H,5-6,15-16H2,1-4H3,(H,28,29)