1-(3-aminophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-bromanyl-butane-1,3-dione

Systemtic Name: 1-(3-aminophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-bromanyl-butane-1,3-dione Openeye Name: 1-(3-aminophenyl)-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-bromo-butane-1,3-dione CAS Name: 1-(3-aminophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-bromobutane-1,3-dione IUPAC Name: 1-(3-aminophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-bromobutane-1,3-dione Traditional Name: 1-(3-aminophenyl)-2-bromo-2-(2,4-ditert-amylphenoxy)butane-1,3-dione Formula: C26H34BrNO3 MolecularWeight: 488.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC(C(=O)C)(C(=O)C2=CC(=CC=C2)N)Br)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC(C(=O)C)(C(=O)C2=CC(=CC=C2)N)Br)C(C)(C)CC

InChI

InChI=1S/C26H34BrNO3/c1-8-24(4,5)19-13-14-22(21(16-19)25(6,7)9-2)31-26(27,17(3)29)23(30)18-11-10-12-20(28)15-18/h10-16H,8-9,28H2,1-7H3