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

Systemtic Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]ethanol; (E)-3-quinolin-4-ylprop-2-enoic acid Openeye Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]ethanol; (E)-3-(4-quinolyl)prop-2-enoic acid CAS Name: 2-[4-(4-chlorophenyl)-1-piperazinyl]ethanol; (E)-3-(4-quinolinyl)-2-propenoic acid IUPAC Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]ethanol; (E)-3-quinolin-4-ylprop-2-enoic acid Traditional Name: 2-[4-(4-chlorophenyl)piperazino]ethanol; (E)-3-(4-quinolyl)acrylic acid Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC=C(C=C2)Cl.C1=CC=C2C(=C1)C(=CC=N2)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1CCO)C2=CC=C(C=C2)Cl.C1=CC=C2C(=C1)C(=CC=N2)/C=C/C(=O)O

InChI

InChI=1S/C12H17ClN2O.C12H9NO2/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16;14-12(15)6-5-9-7-8-13-11-4-2-1-3-10(9)11/h1-4,16H,5-10H2;1-8H,(H,14,15)/b;6-5+