4-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[(E)-3-(4-chlorophenyl)allyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[(E)-3-(4-chlorophenyl)allyl]piperazino]benzoic acid Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21ClN2O2/c21-18-7-3-16(4-8-18)2-1-11-22-12-14-23(15-13-22)19-9-5-17(6-10-19)20(24)25/h1-10H,11-15H2,(H,24,25)/b2-1+