2-[4-(4-chlorophenyl)piperazin-1-yl]ethanol; (E)-3-pyridin-3-ylprop-2-enoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]ethanol; (E)-3-pyridin-3-ylprop-2-enoic acid Openeye Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]ethanol; (E)-3-(3-pyridyl)prop-2-enoic acid CAS Name: 2-[4-(4-chlorophenyl)-1-piperazinyl]ethanol; (E)-3-(3-pyridinyl)-2-propenoic acid IUPAC Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]ethanol; (E)-3-pyridin-3-ylprop-2-enoic acid Traditional Name: 2-[4-(4-chlorophenyl)piperazino]ethanol; (E)-3-(3-pyridyl)acrylic acid Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC=C(C=C2)Cl.C1=CC(=CN=C1)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1CCO)C2=CC=C(C=C2)Cl.C1=CC(=CN=C1)/C=C/C(=O)O

InChI

InChI=1S/C12H17ClN2O.C8H7NO2/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16;10-8(11)4-3-7-2-1-5-9-6-7/h1-4,16H,5-10H2;1-6H,(H,10,11)/b;4-3+