[2-methoxy-4-[(E)-(2-phenylethanoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate

Systemtic Name: [2-methoxy-4-[(E)-(2-phenylethanoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Openeye Name: [2-methoxy-4-[(E)-[(2-phenylacetyl)hydrazono]methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-methoxy-4-[(E)-[(1-oxo-2-phenylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-methoxy-4-[(E)-[(2-phenylacetyl)hydrazono]methyl]phenyl] ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C27H28N2O5/c1-3-4-16-33-23-13-11-22(12-14-23)27(31)34-24-15-10-21(17-25(24)32-2)19-28-29-26(30)18-20-8-6-5-7-9-20/h5-15,17,19H,3-4,16,18H2,1-2H3,(H,29,30)/b28-19+