2-[3-oxidanyl-4-(3-oxidanylidene-3-phenyl-propanoyl)phenoxy]ethyl 4-[2-ethylhexyl(methyl)amino]benzoate

Systemtic Name: 2-[3-oxidanyl-4-(3-oxidanylidene-3-phenyl-propanoyl)phenoxy]ethyl 4-[2-ethylhexyl(methyl)amino]benzoate Openeye Name: 2-[3-hydroxy-4-(3-oxo-3-phenyl-propanoyl)phenoxy]ethyl 4-[2-ethylhexyl(methyl)amino]benzoate CAS Name: 4-[2-ethylhexyl(methyl)amino]benzoic acid 2-[4-(1,3-dioxo-3-phenylpropyl)-3-hydroxyphenoxy]ethyl ester IUPAC Name: 2-[3-hydroxy-4-(3-oxo-3-phenylpropanoyl)phenoxy]ethyl 4-[2-ethylhexyl(methyl)amino]benzoate Traditional Name: 4-[2-ethylhexyl(methyl)amino]benzoic acid 2-[3-hydroxy-4-(3-keto-3-phenyl-propanoyl)phenoxy]ethyl ester Formula: C33H39NO6 MolecularWeight: 545.66586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(C)C1=CC=C(C=C1)C(=O)OCCOC2=CC(=C(C=C2)C(=O)CC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCCC(CC)CN(C)C1=CC=C(C=C1)C(=O)OCCOC2=CC(=C(C=C2)C(=O)CC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C33H39NO6/c1-4-6-10-24(5-2)23-34(3)27-15-13-26(14-16-27)33(38)40-20-19-39-28-17-18-29(31(36)21-28)32(37)22-30(35)25-11-8-7-9-12-25/h7-9,11-18,21,24,36H,4-6,10,19-20,22-23H2,1-3H3