O1-tert-butyl O2-methyl (2R,4R)-4-isoquinolin-6-yloxypiperidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2R,4R)-4-isoquinolin-6-yloxypiperidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2R,4R)-4-(6-isoquinolyloxy)piperidine-1,2-dicarboxylate CAS Name: (2R,4R)-4-(6-isoquinolinyloxy)piperidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2R,4R)-4-isoquinolin-6-yloxypiperidine-1,2-dicarboxylate Traditional Name: (2R,4R)-4-(6-isoquinolyloxy)piperidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)OC2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H](C[C@@H]1C(=O)OC)OC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)28-20(25)23-10-8-17(12-18(23)19(24)26-4)27-16-6-5-15-13-22-9-7-14(15)11-16/h5-7,9,11,13,17-18H,8,10,12H2,1-4H3/t17-,18-/m1/s1