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

Systemtic Name: 4-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-2-methyl-benzoic acid Openeye Name: 4-[4-[(E)-3-(4-chlorophenyl)allyl]piperazin-1-yl]-2-methyl-benzoic acid CAS Name: 4-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-piperazinyl]-2-methylbenzoic acid IUPAC Name: 4-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-2-methylbenzoic acid Traditional Name: 4-[4-[(E)-3-(4-chlorophenyl)allyl]piperazino]-2-methyl-benzoic acid Formula: C21H23ClN2O2 MolecularWeight: 370.87252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)CC=CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C/C=C/C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H23ClN2O2/c1-16-15-19(8-9-20(16)21(25)26)24-13-11-23(12-14-24)10-2-3-17-4-6-18(22)7-5-17/h2-9,15H,10-14H2,1H3,(H,25,26)/b3-2+