O2-tert-butyl O1-methyl 6-(pyridin-4-ylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-methyl 6-(pyridin-4-ylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl 6-(4-pyridylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: 6-(pyridin-4-ylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester IUPAC Name: 2-O-tert-butyl 1-O-methyl 6-(pyridin-4-ylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: 6-(4-pyridylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OC)C=CC(=C2)OCC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OC)C=CC(=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C22H26N2O5/c1-22(2,3)29-21(26)24-12-9-16-13-17(28-14-15-7-10-23-11-8-15)5-6-18(16)19(24)20(25)27-4/h5-8,10-11,13,19H,9,12,14H2,1-4H3