(E)-3-[[4-(2-ethyl-3-methyl-5-oxidanylidene-pyrazol-1-yl)phenyl]carbamoyl]nonadec-5-enoic acid

Systemtic Name: (E)-3-[[4-(2-ethyl-3-methyl-5-oxidanylidene-pyrazol-1-yl)phenyl]carbamoyl]nonadec-5-enoic acid Openeye Name: (E)-3-[[4-(2-ethyl-3-methyl-5-oxo-pyrazol-1-yl)phenyl]carbamoyl]nonadec-5-enoic acid CAS Name: (E)-3-[[4-(2-ethyl-3-methyl-5-oxo-1-pyrazolyl)anilino]-oxomethyl]-5-nonadecenoic acid IUPAC Name: (E)-3-[[4-(2-ethyl-3-methyl-5-oxopyrazol-1-yl)phenyl]carbamoyl]nonadec-5-enoic acid Traditional Name: (E)-3-[[4-(2-ethyl-5-keto-3-methyl-3-pyrazolin-1-yl)phenyl]carbamoyl]nonadec-5-enoic acid Formula: C32H49N3O4 MolecularWeight: 539.74916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC(CC(=O)O)C(=O)NC1=CC=C(C=C1)N2C(=O)C=C(N2CC)C

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC(CC(=O)O)C(=O)NC1=CC=C(C=C1)N2C(=O)C=C(N2CC)C

InChI

InChI=1S/C32H49N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(25-31(37)38)32(39)33-28-20-22-29(23-21-28)35-30(36)24-26(3)34(35)5-2/h17-18,20-24,27H,4-16,19,25H2,1-3H3,(H,33,39)(H,37,38)/b18-17+