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

Systemtic Name: 3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(3,4-dimethoxyphenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propionic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-4-29-20(26)14(11-21)9-15-12-23(8-7-18(24)25)22-19(15)13-5-6-16(27-2)17(10-13)28-3/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,24,25)