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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-(4-propylphenyl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(4-propylphenyl)prop-1-enyl]benzoic acid Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C20H17NO3/c1-2-3-14-4-8-16(9-5-14)19(22)18(13-21)12-15-6-10-17(11-7-15)20(23)24/h4-12H,2-3H2,1H3,(H,23,24)/b18-12+