ethanedioic acid; N-methyl-4-[4-(phenylmethyl)phenoxy]butan-1-amine

Systemtic Name: ethanedioic acid; N-methyl-4-[4-(phenylmethyl)phenoxy]butan-1-amine Openeye Name: 4-(4-benzylphenoxy)-N-methyl-butan-1-amine; oxalic acid CAS Name: N-methyl-4-[4-(phenylmethyl)phenoxy]-1-butanamine; oxalic acid IUPAC Name: 4-(4-benzylphenoxy)-N-methylbutan-1-amine; oxalic acid Traditional Name: 4-(4-benzylphenoxy)butyl-methyl-amine; oxalic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCOC1=CC=C(C=C1)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCCOC1=CC=C(C=C1)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23NO.C2H2O4/c1-19-13-5-6-14-20-18-11-9-17(10-12-18)15-16-7-3-2-4-8-16;3-1(4)2(5)6/h2-4,7-12,19H,5-6,13-15H2,1H3;(H,3,4)(H,5,6)