ethanedioic acid; methyl 3-[3-[(3-methoxyphenyl)methylamino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 3-[3-[(3-methoxyphenyl)methylamino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propoxy]benzoate; oxalic acid CAS Name: 3-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propoxy]benzoate; oxalic acid Traditional Name: 3-[2-hydroxy-3-(m-anisylamino)propoxy]benzoic acid methyl ester; oxalic acid Formula: C21H25NO9 MolecularWeight: 435.4245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNCC(COC2=CC=CC(=C2)C(=O)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNCC(COC2=CC=CC(=C2)C(=O)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23NO5.C2H2O4/c1-23-17-7-3-5-14(9-17)11-20-12-16(21)13-25-18-8-4-6-15(10-18)19(22)24-2;3-1(4)2(5)6/h3-10,16,20-21H,11-13H2,1-2H3;(H,3,4)(H,5,6)