2-[2-methoxy-5-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-methoxy-5-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]ethanoic acid Openeye Name: 2-[2-methoxy-5-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]acetic acid CAS Name: 2-[2-methoxy-5-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]phenyl]acetic acid IUPAC Name: 2-[2-methoxy-5-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]acetic acid Traditional Name: 2-[2-methoxy-5-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]phenyl]acetic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C21H18N2O4/c1-27-20-10-8-16(11-17(20)12-21(25)26)19(24)9-7-15-13-22-23(14-15)18-5-3-2-4-6-18/h2-11,13-14H,12H2,1H3,(H,25,26)/b9-7+