3,5,5-trimethylhexyl 4-oxidanyl-3-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzoate

Systemtic Name: 3,5,5-trimethylhexyl 4-oxidanyl-3-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzoate Openeye Name: 3,5,5-trimethylhexyl 4-hydroxy-3-[(3-oxo-3-phenyl-propanoyl)amino]benzoate CAS Name: 3-[(1,3-dioxo-3-phenylpropyl)amino]-4-hydroxybenzoic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl 4-hydroxy-3-[(3-oxo-3-phenylpropanoyl)amino]benzoate Traditional Name: 4-hydroxy-3-[(3-keto-3-phenyl-propanoyl)amino]benzoic acid 3,5,5-trimethylhexyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=CC(=C(C=C1)O)NC(=O)CC(=O)C2=CC=CC=C2)CC(C)(C)C

Isomeric SMILES

CC(CCOC(=O)C1=CC(=C(C=C1)O)NC(=O)CC(=O)C2=CC=CC=C2)CC(C)(C)C

InChI

InChI=1S/C25H31NO5/c1-17(16-25(2,3)4)12-13-31-24(30)19-10-11-21(27)20(14-19)26-23(29)15-22(28)18-8-6-5-7-9-18/h5-11,14,17,27H,12-13,15-16H2,1-4H3,(H,26,29)