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

Systemtic Name: (E)-2-methyl-2-[[3-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbamoyl]phenyl]carbamoyl]icos-3-enoic acid Openeye Name: (E)-2-methyl-2-[[3-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)carbamoyl]phenyl]carbamoyl]icos-3-enoic acid CAS Name: (E)-2-methyl-2-[oxo-[3-[oxo-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]methyl]anilino]methyl]-3-eicosenoic acid IUPAC Name: (E)-2-methyl-2-[[3-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)carbamoyl]phenyl]carbamoyl]icos-3-enoic acid Traditional Name: (E)-2-[[3-[(5-keto-1-phenyl-3-pyrazolin-3-yl)carbamoyl]phenyl]carbamoyl]-2-methyl-eicos-3-enoic acid Formula: C38H52N4O5 MolecularWeight: 644.84328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC(C)(C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C(C)(C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C38H52N4O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-38(2,37(46)47)36(45)39-31-24-22-23-30(28-31)35(44)40-33-29-34(43)42(41-33)32-25-19-18-20-26-32/h18-29,41H,3-17H2,1-2H3,(H,39,45)(H,40,44)(H,46,47)/b27-21+