(Z)-but-2-enedioic acid; methyl 3-(4-naphthalen-1-ylpiperazin-1-yl)propanoate

Systemtic Name: (Z)-but-2-enedioic acid; methyl 3-(4-naphthalen-1-ylpiperazin-1-yl)propanoate Openeye Name: maleic acid; methyl 3-[4-(1-naphthyl)piperazin-1-yl]propanoate CAS Name: (Z)-2-butenedioic acid; 3-[4-(1-naphthalenyl)-1-piperazinyl]propanoic acid methyl ester IUPAC Name: (Z)-but-2-enedioic acid; methyl 3-(4-naphthalen-1-ylpiperazin-1-yl)propanoate Traditional Name: maleic acid; 3-[4-(1-naphthyl)piperazino]propionic acid methyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)C2=CC=CC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC(=O)CCN1CCN(CC1)C2=CC=CC3=CC=CC=C32.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N2O2.C4H4O4/c1-22-18(21)9-10-19-11-13-20(14-12-19)17-8-4-6-15-5-2-3-7-16(15)17;5-3(6)1-2-4(7)8/h2-8H,9-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-