ethyl 4-[(E)-4-(4-chlorophenyl)-1-piperazin-1-yl-but-3-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-4-(4-chlorophenyl)-1-piperazin-1-yl-but-3-enyl]benzoate Openeye Name: ethyl 4-[(E)-4-(4-chlorophenyl)-1-piperazin-1-yl-but-3-enyl]benzoate CAS Name: 4-[(E)-4-(4-chlorophenyl)-1-(1-piperazinyl)but-3-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-(4-chlorophenyl)-1-piperazin-1-ylbut-3-enyl]benzoate Traditional Name: 4-[(E)-4-(4-chlorophenyl)-1-piperazino-but-3-enyl]benzoic acid ethyl ester Formula: C23H27ClN2O2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(CC=CC2=CC=C(C=C2)Cl)N3CCNCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C/C=C/C2=CC=C(C=C2)Cl)N3CCNCC3

InChI

InChI=1S/C23H27ClN2O2/c1-2-28-23(27)20-10-8-19(9-11-20)22(26-16-14-25-15-17-26)5-3-4-18-6-12-21(24)13-7-18/h3-4,6-13,22,25H,2,5,14-17H2,1H3/b4-3+