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

Systemtic Name: 4-[(E)-4-(4-chlorophenyl)-2-oxidanylidene-1-piperazin-1-yl-but-3-enyl]benzoic acid Openeye Name: 4-[(E)-4-(4-chlorophenyl)-2-oxo-1-piperazin-1-yl-but-3-enyl]benzoic acid CAS Name: 4-[(E)-4-(4-chlorophenyl)-2-oxo-1-(1-piperazinyl)but-3-enyl]benzoic acid IUPAC Name: 4-[(E)-4-(4-chlorophenyl)-2-oxo-1-piperazin-1-ylbut-3-enyl]benzoic acid Traditional Name: 4-[(E)-4-(4-chlorophenyl)-2-keto-1-piperazino-but-3-enyl]benzoic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=C(C=C2)C(=O)O)C(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c22-18-8-1-15(2-9-18)3-10-19(25)20(24-13-11-23-12-14-24)16-4-6-17(7-5-16)21(26)27/h1-10,20,23H,11-14H2,(H,26,27)/b10-3+