O7-tert-butyl O2-methyl 1-butyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylate

Systemtic Name: O7-tert-butyl O2-methyl 1-butyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylate Openeye Name: O7-tert-butyl O2-methyl 1-butyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylate CAS Name: 1-butyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylic acid O7-tert-butyl ester O2-methyl ester IUPAC Name: 7-O-tert-butyl 2-O-methyl 1-butyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylate Traditional Name: 1-butyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylic acid O7-tert-butyl ester O2-methyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CCN1C(=O)OC)C=CC(=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1C2=C(CCN1C(=O)OC)C=CC(=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29NO4/c1-6-7-8-17-16-13-15(18(22)25-20(2,3)4)10-9-14(16)11-12-21(17)19(23)24-5/h9-10,13,17H,6-8,11-12H2,1-5H3