(Z)-2-(1-quinolin-4-ylpiperidin-2-yl)but-2-enedioic acid

Systemtic Name: (Z)-2-(1-quinolin-4-ylpiperidin-2-yl)but-2-enedioic acid Openeye Name: (Z)-2-[1-(4-quinolyl)-2-piperidyl]but-2-enedioic acid CAS Name: (Z)-2-[1-(4-quinolinyl)-2-piperidinyl]-2-butenedioic acid IUPAC Name: (Z)-2-(1-quinolin-4-ylpiperidin-2-yl)but-2-enedioic acid Traditional Name: (Z)-2-[1-(4-quinolyl)-2-piperidyl]but-2-enedioic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=CC(=O)O)C(=O)O)C2=CC=NC3=CC=CC=C32

Isomeric SMILES

C1CCN(C(C1)/C(=C/C(=O)O)/C(=O)O)C2=CC=NC3=CC=CC=C32

InChI

InChI=1S/C18H18N2O4/c21-17(22)11-13(18(23)24)15-7-3-4-10-20(15)16-8-9-19-14-6-2-1-5-12(14)16/h1-2,5-6,8-9,11,15H,3-4,7,10H2,(H,21,22)(H,23,24)/b13-11-