2-[[(E)-3-(3,4-dimethylphenyl)but-2-enoyl]amino]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(3,4-dimethylphenyl)but-2-enoyl]amino]-5-fluoranyl-benzoic acid Openeye Name: 2-[[(E)-3-(3,4-dimethylphenyl)but-2-enoyl]amino]-5-fluoro-benzoic acid CAS Name: 2-[[(E)-3-(3,4-dimethylphenyl)-1-oxobut-2-enyl]amino]-5-fluorobenzoic acid IUPAC Name: 2-[[(E)-3-(3,4-dimethylphenyl)but-2-enoyl]amino]-5-fluorobenzoic acid Traditional Name: 2-[[(E)-3-(3,4-dimethylphenyl)but-2-enoyl]amino]-5-fluoro-benzoic acid Formula: C19H18FNO3 MolecularWeight: 327.349523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=CC(=O)NC2=C(C=C(C=C2)F)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C/C(=O)NC2=C(C=C(C=C2)F)C(=O)O)/C)C

InChI

InChI=1S/C19H18FNO3/c1-11-4-5-14(8-12(11)2)13(3)9-18(22)21-17-7-6-15(20)10-16(17)19(23)24/h4-10H,1-3H3,(H,21,22)(H,23,24)/b13-9+