O7-tert-butyl O2-piperidin-4-yl 4-azanyl-5-chloranyl-3-methoxy-2,3-dihydro-1-benzofuran-2,7-dicarboxylate

Systemtic Name: O7-tert-butyl O2-piperidin-4-yl 4-azanyl-5-chloranyl-3-methoxy-2,3-dihydro-1-benzofuran-2,7-dicarboxylate Openeye Name: O7-tert-butyl O2-(4-piperidyl) 4-amino-5-chloro-3-methoxy-2,3-dihydrobenzofuran-2,7-dicarboxylate CAS Name: 4-amino-5-chloro-3-methoxy-2,3-dihydrobenzofuran-2,7-dicarboxylic acid O7-tert-butyl ester O2-(4-piperidinyl) ester IUPAC Name: 7-O-tert-butyl 2-O-piperidin-4-yl 4-amino-5-chloro-3-methoxy-2,3-dihydro-1-benzofuran-2,7-dicarboxylate Traditional Name: 4-amino-5-chloro-3-methoxy-coumaran-2,7-dicarboxylic acid O7-tert-butyl ester O2-(4-piperidyl) ester Formula: C20H27ClN2O6 MolecularWeight: 426.89118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C2=C1OC(C2OC)C(=O)OC3CCNCC3)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C2=C1OC(C2OC)C(=O)OC3CCNCC3)N)Cl

InChI

InChI=1S/C20H27ClN2O6/c1-20(2,3)29-18(24)11-9-12(21)14(22)13-15(11)28-17(16(13)26-4)19(25)27-10-5-7-23-8-6-10/h9-10,16-17,23H,5-8,22H2,1-4H3