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

Systemtic Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazino]-3-keto-prop-1-enyl]benzoic acid Formula: C21H18FN3O3 MolecularWeight: 379.384323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C21H18FN3O3/c22-18-3-1-2-4-19(18)24-9-11-25(12-10-24)20(26)17(14-23)13-15-5-7-16(8-6-15)21(27)28/h1-8,13H,9-12H2,(H,27,28)/b17-13+