ethyl 3-(dimethylamino)-1-(2-methylphenyl)isoquinoline-4-carboxylate

Systemtic Name: ethyl 3-(dimethylamino)-1-(2-methylphenyl)isoquinoline-4-carboxylate Openeye Name: ethyl 3-(dimethylamino)-1-(o-tolyl)isoquinoline-4-carboxylate CAS Name: 3-(dimethylamino)-1-(2-methylphenyl)-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(dimethylamino)-1-(2-methylphenyl)isoquinoline-4-carboxylate Traditional Name: 3-(dimethylamino)-1-(o-tolyl)isoquinoline-4-carboxylic acid ethyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3C)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3C)N(C)C

InChI

InChI=1S/C21H22N2O2/c1-5-25-21(24)18-16-12-8-9-13-17(16)19(22-20(18)23(3)4)15-11-7-6-10-14(15)2/h6-13H,5H2,1-4H3