ethanedioic acid; methyl 2-methoxy-5-[[[3-(2-methylphenoxy)-2-oxidanyl-propyl]amino]methyl]benzoate

Systemtic Name: ethanedioic acid; methyl 2-methoxy-5-[[[3-(2-methylphenoxy)-2-oxidanyl-propyl]amino]methyl]benzoate Openeye Name: methyl 5-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]-2-methoxy-benzoate; oxalic acid CAS Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]-2-methoxybenzoic acid methyl ester; oxalic acid IUPAC Name: methyl 5-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]-2-methoxybenzoate; oxalic acid Traditional Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]-2-methoxy-benzoic acid methyl ester; oxalic acid Formula: C22H27NO9 MolecularWeight: 449.45108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CNCC2=CC(=C(C=C2)OC)C(=O)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CNCC2=CC(=C(C=C2)OC)C(=O)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO5.C2H2O4/c1-14-6-4-5-7-18(14)26-13-16(22)12-21-11-15-8-9-19(24-2)17(10-15)20(23)25-3;3-1(4)2(5)6/h4-10,16,21-22H,11-13H2,1-3H3;(H,3,4)(H,5,6)