2,4-bis[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1,3-dicarboxylic acid Formula: C28H30N2O8 MolecularWeight: 522.5464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)C(=O)C3C(C(C3C(=O)O)C(=O)N4CCC5=C(C4)C=CC(=C5)OC)C(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)C(=O)C3C(C(C3C(=O)O)C(=O)N4CCC5=C(C4)C=CC(=C5)OC)C(=O)O)C=C1

InChI

InChI=1S/C28H30N2O8/c1-37-19-5-3-17-13-29(9-7-15(17)11-19)25(31)21-23(27(33)34)22(24(21)28(35)36)26(32)30-10-8-16-12-20(38-2)6-4-18(16)14-30/h3-6,11-12,21-24H,7-10,13-14H2,1-2H3,(H,33,34)(H,35,36)