3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(4-phenylphenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-3-(4-phenylphenyl)pyrazol-1-yl]propionic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)C3=CC=CC=C3)CCC(=O)O)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)C3=CC=CC=C3)CCC(=O)O)C#N

InChI

InChI=1S/C24H21N3O4/c1-2-31-24(30)20(15-25)14-21-16-27(13-12-22(28)29)26-23(21)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16H,2,12-13H2,1H3,(H,28,29)