4-[[(Z)-1-[1-methyl-4-oxidanyl-5-(4-pentylphenyl)pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid

Systemtic Name: 4-[[(Z)-1-[1-methyl-4-oxidanyl-5-(4-pentylphenyl)pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid Openeye Name: 4-[[(Z)-1-[4-hydroxy-1-methyl-5-(4-pentylphenyl)pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid CAS Name: 4-[[(2Z)-2-[1-[4-hydroxy-1-methyl-5-(4-pentylphenyl)-3-pyrazolyl]ethylidene]hydrazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[[(Z)-1-[4-hydroxy-1-methyl-5-(4-pentylphenyl)pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid Traditional Name: 4-[[(Z)-1-[5-(4-amylphenyl)-4-hydroxy-1-methyl-pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C(=NN2C)C(=NNC(=O)C3=CC=C(C=C3)C(=O)O)C)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C(=NN2C)/C(=N\NC(=O)C3=CC=C(C=C3)C(=O)O)/C)O

InChI

InChI=1S/C25H28N4O4/c1-4-5-6-7-17-8-10-18(11-9-17)22-23(30)21(28-29(22)3)16(2)26-27-24(31)19-12-14-20(15-13-19)25(32)33/h8-15,30H,4-7H2,1-3H3,(H,27,31)(H,32,33)/b26-16-