[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C24H30BrNO3 MolecularWeight: 460.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)Br

InChI

InChI=1S/C24H30BrNO3/c1-15-10-19(8-9-20(15)25)26-21(27)14-29-22(28)16-11-17(23(2,3)4)13-18(12-16)24(5,6)7/h8-13H,14H2,1-7H3,(H,26,27)