tert-butyl 1-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-bromobenzyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1CC3=CC=CC=C3Br)C=CC(=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1CC3=CC=CC=C3Br)C=CC(=C2)OC

InChI

InChI=1S/C22H26BrNO3/c1-22(2,3)27-21(25)24-12-11-15-13-17(26-4)9-10-18(15)20(24)14-16-7-5-6-8-19(16)23/h5-10,13,20H,11-12,14H2,1-4H3