tert-butyl 2-(3-chloranyl-4-methoxycarbonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 2-(3-chloranyl-4-methoxycarbonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: tert-butyl 2-(3-chloro-4-methoxycarbonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(3-chloro-4-methoxycarbonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-chloro-4-methoxycarbonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(4-carbomethoxy-3-chloro-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC2=CC=CC=C2CN1C3=CC(=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CC2=CC=CC=C2CN1C3=CC(=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H24ClNO4/c1-22(2,3)28-21(26)19-11-14-7-5-6-8-15(14)13-24(19)16-9-10-17(18(23)12-16)20(25)27-4/h5-10,12,19H,11,13H2,1-4H3