2-[2-[bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[bis(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]phenoxy]acetic acid CAS Name: 2-[2-[bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]phenoxy]acetic acid Traditional Name: 2-[2-[bis(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]phenoxy]acetic acid Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3OCC(=O)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3OCC(=O)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C31H30N4O5/c1-20-27(30(38)34(32(20)3)22-13-7-5-8-14-22)29(24-17-11-12-18-25(24)40-19-26(36)37)28-21(2)33(4)35(31(28)39)23-15-9-6-10-16-23/h5-18,29H,19H2,1-4H3,(H,36,37)