tert-butyl 6-fluoranyl-3-[(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-piperidin-4-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 6-fluoranyl-3-[(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-piperidin-4-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(3R,4R)-1-tert-butoxycarbonyl-3-hydroxy-4-piperidyl]-6-fluoro-indole-1-carboxylate CAS Name: 6-fluoro-3-[(3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-fluoro-3-[(3R,4R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indole-1-carboxylate Traditional Name: 3-[(3R,4R)-1-tert-butoxycarbonyl-3-hydroxy-4-piperidyl]-6-fluoro-indole-1-carboxylic acid tert-butyl ester Formula: C23H31FN2O5 MolecularWeight: 434.501043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)O)C2=CN(C3=C2C=CC(=C3)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)O)C2=CN(C3=C2C=CC(=C3)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H31FN2O5/c1-22(2,3)30-20(28)25-10-9-16(19(27)13-25)17-12-26(21(29)31-23(4,5)6)18-11-14(24)7-8-15(17)18/h7-8,11-12,16,19,27H,9-10,13H2,1-6H3/t16-,19+/m1/s1