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

Systemtic Name: (E)-3-[[4-(2,3-dimethyl-5-oxidanylidene-pyrazol-1-yl)phenyl]carbamoyl]nonadec-5-enoic acid Openeye Name: (E)-3-[[4-(2,3-dimethyl-5-oxo-pyrazol-1-yl)phenyl]carbamoyl]nonadec-5-enoic acid CAS Name: (E)-3-[[4-(2,3-dimethyl-5-oxo-1-pyrazolyl)anilino]-oxomethyl]-5-nonadecenoic acid IUPAC Name: (E)-3-[[4-(2,3-dimethyl-5-oxopyrazol-1-yl)phenyl]carbamoyl]nonadec-5-enoic acid Traditional Name: (E)-3-[[4-(5-keto-2,3-dimethyl-3-pyrazolin-1-yl)phenyl]carbamoyl]nonadec-5-enoic acid Formula: C31H47N3O4 MolecularWeight: 525.72258

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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(N2C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H47N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(24-30(36)37)31(38)32-27-19-21-28(22-20-27)34-29(35)23-25(2)33(34)3/h16-17,19-23,26H,4-15,18,24H2,1-3H3,(H,32,38)(H,36,37)/b17-16+