ethyl 1-(2,4,6-trimethylphenyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-(2,4,6-trimethylphenyl)-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-(2,4,6-trimethylphenyl)-1H-isoquinoline-2-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4,6-trimethylphenyl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-mesityl-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=CC=CC=C2C1C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)N1C=CC2=CC=CC=C2C1C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C21H23NO2/c1-5-24-21(23)22-11-10-17-8-6-7-9-18(17)20(22)19-15(3)12-14(2)13-16(19)4/h6-13,20H,5H2,1-4H3