(E)-3-[[3-(2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)phenyl]carbamoyl]nonadec-5-enoic acid

Systemtic Name: (E)-3-[[3-(2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)phenyl]carbamoyl]nonadec-5-enoic acid Openeye Name: (E)-3-[[3-(2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)phenyl]carbamoyl]nonadec-5-enoic acid CAS Name: (E)-3-[[3-(2-methyl-5-oxo-1-phenyl-3-pyrazolyl)anilino]-oxomethyl]-5-nonadecenoic acid IUPAC Name: (E)-3-[[3-(2-methyl-5-oxo-1-phenylpyrazol-3-yl)phenyl]carbamoyl]nonadec-5-enoic acid Traditional Name: (E)-3-[[3-(5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)phenyl]carbamoyl]nonadec-5-enoic acid Formula: C36H49N3O4 MolecularWeight: 587.79196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC(CC(=O)O)C(=O)NC1=CC=CC(=C1)C2=CC(=O)N(N2C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC(CC(=O)O)C(=O)NC1=CC=CC(=C1)C2=CC(=O)N(N2C)C3=CC=CC=C3

InChI

InChI=1S/C36H49N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-30(27-35(41)42)36(43)37-31-23-20-22-29(26-31)33-28-34(40)39(38(33)2)32-24-18-16-19-25-32/h15-20,22-26,28,30H,3-14,21,27H2,1-2H3,(H,37,43)(H,41,42)/b17-15+