(E)-but-2-enedioic acid; 2-(2-chlorophenyl)-4-(2-piperidin-4-ylethyl)quinoline

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-chlorophenyl)-4-(2-piperidin-4-ylethyl)quinoline Openeye Name: 2-(2-chlorophenyl)-4-[2-(4-piperidyl)ethyl]quinoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2-chlorophenyl)-4-[2-(4-piperidinyl)ethyl]quinoline IUPAC Name: (E)-but-2-enedioic acid; 2-(2-chlorophenyl)-4-(2-piperidin-4-ylethyl)quinoline Traditional Name: 2-(2-chlorophenyl)-4-[2-(4-piperidyl)ethyl]quinoline; fumaric acid Formula: C26H27ClN2O4 MolecularWeight: 466.95658

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H23ClN2.C4H4O4/c23-20-7-3-1-6-19(20)22-15-17(10-9-16-11-13-24-14-12-16)18-5-2-4-8-21(18)25-22;5-3(6)1-2-4(7)8/h1-8,15-16,24H,9-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+