4-[[4-[(5-oxidanylidene-1-phenyl-3-propylidene-pyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-[(5-oxidanylidene-1-phenyl-3-propylidene-pyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(5-oxo-1-phenyl-3-propylidene-pyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(5-oxo-1-phenyl-3-propylidene-4-pyrazolidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(5-oxo-1-phenyl-3-propylidenepyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(5-keto-1-phenyl-3-propylidene-pyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate Formula: C27H23N2O4- MolecularWeight: 439.48252

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])C(=O)N(N1)C4=CC=CC=C4

Isomeric SMILES

CCC=C1C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])C(=O)N(N1)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4/c1-2-6-25-24(26(30)29(28-25)22-7-4-3-5-8-22)17-19-11-15-23(16-12-19)33-18-20-9-13-21(14-10-20)27(31)32/h3-17,28H,2,18H2,1H3,(H,31,32)/p-1