3-[4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C22H20N2O3/c1-16-7-9-17(10-8-16)20(25)12-11-19-15-24(14-13-21(26)27)23-22(19)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,26,27)/b12-11+