ethanedioic acid; methyl 3-methoxy-4-[2-oxidanyl-3-(pyridin-3-ylmethylamino)propoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 3-methoxy-4-[2-oxidanyl-3-(pyridin-3-ylmethylamino)propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-(3-pyridylmethylamino)propoxy]-3-methoxy-benzoate; oxalic acid CAS Name: 4-[2-hydroxy-3-(3-pyridinylmethylamino)propoxy]-3-methoxybenzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[2-hydroxy-3-(pyridin-3-ylmethylamino)propoxy]-3-methoxybenzoate; oxalic acid Traditional Name: 4-[2-hydroxy-3-(3-pyridylmethylamino)propoxy]-3-methoxy-benzoic acid methyl ester; oxalic acid Formula: C20H24N2O9 MolecularWeight: 436.41256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNCC2=CN=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNCC2=CN=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2O5.C2H2O4/c1-23-17-8-14(18(22)24-2)5-6-16(17)25-12-15(21)11-20-10-13-4-3-7-19-9-13;3-1(4)2(5)6/h3-9,15,20-21H,10-12H2,1-2H3;(H,3,4)(H,5,6)