(Z)-but-2-enedioic acid; 3-(diethylaminomethyl)-4-octoxy-aniline

Systemtic Name: (Z)-but-2-enedioic acid; 3-(diethylaminomethyl)-4-octoxy-aniline Openeye Name: 3-(diethylaminomethyl)-4-octoxy-aniline; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-(diethylaminomethyl)-4-octoxyaniline IUPAC Name: (Z)-but-2-enedioic acid; 3-(diethylaminomethyl)-4-octoxyaniline Traditional Name: (5-amino-2-octoxy-benzyl)-diethyl-amine; maleic acid Formula: C23H38N2O5 MolecularWeight: 422.55822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N)CN(CC)CC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N)CN(CC)CC.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H34N2O.C4H4O4/c1-4-7-8-9-10-11-14-22-19-13-12-18(20)15-17(19)16-21(5-2)6-3;5-3(6)1-2-4(7)8/h12-13,15H,4-11,14,16,20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-