(E)-but-2-enedioic acid; ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate Openeye Name: ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-[4-(2-methoxyphenyl)-1-piperazinyl]heptanoic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate Traditional Name: fumaric acid; 7-[4-(2-methoxyphenyl)piperazino]enanthic acid ethyl ester Formula: C24H36N2O7 MolecularWeight: 464.55184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN1CCN(CC1)C2=CC=CC=C2OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)CCCCCCN1CCN(CC1)C2=CC=CC=C2OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H32N2O3.C4H4O4/c1-3-25-20(23)12-6-4-5-9-13-21-14-16-22(17-15-21)18-10-7-8-11-19(18)24-2;5-3(6)1-2-4(7)8/h7-8,10-11H,3-6,9,12-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+