methyl 4-[[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]methyl]benzoic acid methyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C26H35NO4/c1-25(2,3)20-14-18(15-21(23(20)29)26(4,5)6)10-13-22(28)27-16-17-8-11-19(12-9-17)24(30)31-7/h8-9,11-12,14-15,29H,10,13,16H2,1-7H3,(H,27,28)