5-(octadecanoylamino)-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)carbamoyl]benzoic acid

Systemtic Name: 5-(octadecanoylamino)-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)carbamoyl]benzoic acid Openeye Name: 5-(octadecanoylamino)-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]benzoic acid CAS Name: 5-(1-oxooctadecylamino)-2-[oxo-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]methyl]benzoic acid IUPAC Name: 5-(octadecanoylamino)-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)carbamoyl]-5-stearamido-benzoic acid Formula: C35H48N4O5 MolecularWeight: 604.77942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)C(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)C(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C35H48N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(40)36-27-23-24-29(30(25-27)35(43)44)34(42)37-31-26-33(41)39(38-31)28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,36,40)(H,43,44)(H,37,38,42)