2-[1-(ethylamino)propan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[1-(ethylamino)propan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[2-(ethylamino)-1-methyl-ethyl]-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 2-[1-(ethylamino)propan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[1-(ethylamino)propan-2-yl]-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[2-(ethylamino)-1-methyl-ethyl]-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(C)N1C=C(C2=CC=CC=C2C1C3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CCNCC(C)N1C=C(C2=CC=CC=C2C1C3=CC=CC=C3C)C(=O)O

InChI

InChI=1S/C22H26N2O2/c1-4-23-13-16(3)24-14-20(22(25)26)18-11-7-8-12-19(18)21(24)17-10-6-5-9-15(17)2/h5-12,14,16,21,23H,4,13H2,1-3H3,(H,25,26)