tert-butyl 3-[[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: tert-butyl 3-[[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: 3-[[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]methyl]-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: 3-[[4-(2-bromo-5-methoxy-benzyl)piperidino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester Formula: C28H37BrN2O3 MolecularWeight: 529.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC2=CC=CC=C21)CN3CCC(CC3)CC4=C(C=CC(=C4)OC)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC2=CC=CC=C21)CN3CCC(CC3)CC4=C(C=CC(=C4)OC)Br

InChI

InChI=1S/C28H37BrN2O3/c1-28(2,3)34-27(32)31-19-21(16-22-7-5-6-8-26(22)31)18-30-13-11-20(12-14-30)15-23-17-24(33-4)9-10-25(23)29/h5-10,17,20-21H,11-16,18-19H2,1-4H3