(Z)-2,3-dioctylbut-2-enedioate; 1-(4-ethyl-2,5-dimethoxy-phenyl)propan-2-amine

Systemtic Name: (Z)-2,3-dioctylbut-2-enedioate; 1-(4-ethyl-2,5-dimethoxy-phenyl)propan-2-amine Openeye Name: (Z)-2,3-dioctylbut-2-enedioate; 1-(4-ethyl-2,5-dimethoxy-phenyl)propan-2-amine CAS Name: (Z)-2,3-dioctyl-2-butenedioate; 1-(4-ethyl-2,5-dimethoxyphenyl)-2-propanamine IUPAC Name: (Z)-2,3-dioctylbut-2-enedioate; 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine Traditional Name: (Z)-2,3-dioctylbut-2-enedioate; [2-(4-ethyl-2,5-dimethoxy-phenyl)-1-methyl-ethyl]amine Formula: C33H55NO6-2 MolecularWeight: 561.7929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=C(CCCCCCCC)C(=O)[O-])C(=O)[O-].CCC1=CC(=C(C=C1OC)CC(C)N)OC

Isomeric SMILES

CCCCCCCC/C(=C(\CCCCCCCC)/C(=O)[O-])/C(=O)[O-].CCC1=CC(=C(C=C1OC)CC(C)N)OC

InChI

InChI=1S/C20H36O4.C13H21NO2/c1-3-5-7-9-11-13-15-17(19(21)22)18(20(23)24)16-14-12-10-8-6-4-2;1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h3-16H2,1-2H3,(H,21,22)(H,23,24);7-9H,5-6,14H2,1-4H3/p-2/b18-17-;