4-[[4-(2-methyl-5-oxidanylidene-3-pentadecyl-pyrazol-1-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[4-(2-methyl-5-oxidanylidene-3-pentadecyl-pyrazol-1-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[4-(2-methyl-5-oxo-3-pentadecyl-pyrazol-1-yl)anilino]-4-oxo-but-2-enoic acid CAS Name: 4-[4-(2-methyl-5-oxo-3-pentadecyl-1-pyrazolyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: 4-[4-(2-methyl-5-oxo-3-pentadecylpyrazol-1-yl)anilino]-4-oxobut-2-enoic acid Traditional Name: 4-keto-4-[4-(5-keto-2-methyl-3-pentadecyl-3-pyrazolin-1-yl)anilino]but-2-enoic acid Formula: C29H43N3O4 MolecularWeight: 497.66942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)NC(=O)C=CC(=O)O

InChI

InChI=1S/C29H43N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-23-28(34)32(31(26)2)25-19-17-24(18-20-25)30-27(33)21-22-29(35)36/h17-23H,3-16H2,1-2H3,(H,30,33)(H,35,36)