tert-butyl (3R,4R)-3-(anthracen-9-ylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl (3R,4R)-3-(anthracen-9-ylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate Openeye Name: tert-butyl (3R,4R)-3-(9-anthrylmethoxy)-4-(3-furyl)piperidine-1-carboxylate CAS Name: (3R,4R)-3-(9-anthracenylmethoxy)-4-(3-furanyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4R)-3-(anthracen-9-ylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate Traditional Name: (3R,4R)-3-(9-anthrylmethoxy)-4-(3-furyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)OCC2=C3C=CC=CC3=CC4=CC=CC=C42)C5=COC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)OCC2=C3C=CC=CC3=CC4=CC=CC=C42)C5=COC=C5

InChI

InChI=1S/C29H31NO4/c1-29(2,3)34-28(31)30-14-12-25(22-13-15-32-18-22)27(17-30)33-19-26-23-10-6-4-8-20(23)16-21-9-5-7-11-24(21)26/h4-11,13,15-16,18,25,27H,12,14,17,19H2,1-3H3/t25-,27+/m1/s1