tert-butyl 7-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(CCN(C3)C(=O)OC(C)(C)C)C=C2

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(CCN(C3)C(=O)OC(C)(C)C)C=C2

InChI

InChI=1S/C21H25NO2/c1-15-7-5-6-8-19(15)17-10-9-16-11-12-22(14-18(16)13-17)20(23)24-21(2,3)4/h5-10,13H,11-12,14H2,1-4H3