tert-butyl 1-(3-chloranyl-4-methoxycarbonyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC2=CC=CC=C2C(N1)C3=CC(=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CC2=CC=CC=C2C(N1)C3=CC(=C(C=C3)C(=O)OC)Cl

InChI

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