ethanedioic acid; methyl 2-[(5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethanedioic acid; methyl 2-[(5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[(5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate; oxalic acid CAS Name: 2-[(5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[(5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate; oxalic acid Traditional Name: 2-[(5-carbethoxy-2-keto-4-methyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester; oxalic acid Formula: C22H27N3O9 MolecularWeight: 477.46448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CN2CC3=CC=CC=C3CC2C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CN2CC3=CC=CC=C3CC2C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O5.C2H2O4/c1-4-28-19(25)17-12(2)21-20(26)22-15(17)11-23-10-14-8-6-5-7-13(14)9-16(23)18(24)27-3;3-1(4)2(5)6/h5-8,12,16H,4,9-11H2,1-3H3,(H2,21,22,26);(H,3,4)(H,5,6)