dimethyl 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate; ethanedioic acid

Systemtic Name: dimethyl 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate; ethanedioic acid Openeye Name: dimethyl 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate; oxalic acid CAS Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester; oxalic acid IUPAC Name: dimethyl 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate; oxalic acid Traditional Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester; oxalic acid Formula: C23H24N2O9 MolecularWeight: 472.44466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCC3=CC=CC=C3C2)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCC3=CC=CC=C3C2)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H22N2O5.C2H2O4/c1-27-20(25)16-9-17(21(26)28-2)11-18(10-16)22-19(24)13-23-8-7-14-5-3-4-6-15(14)12-23;3-1(4)2(5)6/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,22,24);(H,3,4)(H,5,6)