ethanedioic acid; methyl 4-[4-[methyl-(phenylmethyl)amino]butoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[4-[methyl-(phenylmethyl)amino]butoxy]benzoate Openeye Name: methyl 4-[4-[benzyl(methyl)amino]butoxy]benzoate; oxalic acid CAS Name: 4-[4-[methyl-(phenylmethyl)amino]butoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[4-[benzyl(methyl)amino]butoxy]benzoate; oxalic acid Traditional Name: 4-[4-[benzyl(methyl)amino]butoxy]benzoic acid methyl ester; oxalic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCOC1=CC=C(C=C1)C(=O)OC)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCCCOC1=CC=C(C=C1)C(=O)OC)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO3.C2H2O4/c1-21(16-17-8-4-3-5-9-17)14-6-7-15-24-19-12-10-18(11-13-19)20(22)23-2;3-1(4)2(5)6/h3-5,8-13H,6-7,14-16H2,1-2H3;(H,3,4)(H,5,6)