4-[(E)-4-(4-chlorophenyl)-1-piperazin-1-yl-but-3-enyl]benzoic acid

Systemtic Name: 4-[(E)-4-(4-chlorophenyl)-1-piperazin-1-yl-but-3-enyl]benzoic acid Openeye Name: 4-[(E)-4-(4-chlorophenyl)-1-piperazin-1-yl-but-3-enyl]benzoic acid CAS Name: 4-[(E)-4-(4-chlorophenyl)-1-(1-piperazinyl)but-3-enyl]benzoic acid IUPAC Name: 4-[(E)-4-(4-chlorophenyl)-1-piperazin-1-ylbut-3-enyl]benzoic acid Traditional Name: 4-[(E)-4-(4-chlorophenyl)-1-piperazino-but-3-enyl]benzoic acid Formula: C21H23ClN2O2 MolecularWeight: 370.87252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC=CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1)C(C/C=C/C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H23ClN2O2/c22-19-10-4-16(5-11-19)2-1-3-20(24-14-12-23-13-15-24)17-6-8-18(9-7-17)21(25)26/h1-2,4-11,20,23H,3,12-15H2,(H,25,26)/b2-1+