tert-butyl 4-bromanyl-3-[[(3R,6R)-3-methoxycarbonyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 4-bromanyl-3-[[(3R,6R)-3-methoxycarbonyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 4-bromo-3-[[(3R,6R)-3-methoxycarbonyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]indole-1-carboxylate CAS Name: 4-bromo-3-[[(3R,6R)-3-methoxycarbonyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-bromo-3-[[(3R,6R)-3-methoxycarbonyl-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]indole-1-carboxylate Traditional Name: 4-bromo-3-[[(3R,6R)-3-carbomethoxy-1-methyl-3,6-dihydro-2H-pyridin-6-yl]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Br)CC3C=CC(CN3C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Br)C[C@@H]3C=C[C@H](CN3C)C(=O)OC

InChI

InChI=1S/C22H27BrN2O4/c1-22(2,3)29-21(27)25-13-15(19-17(23)7-6-8-18(19)25)11-16-10-9-14(12-24(16)4)20(26)28-5/h6-10,13-14,16H,11-12H2,1-5H3/t14-,16+/m1/s1