5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-bromanyl-2-chloranyl-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide

Systemtic Name: 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-bromanyl-2-chloranyl-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide Openeye Name: 5-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-2-bromo-2-chloro-4,4-dimethyl-3-oxo-N-phenyl-pentanamide CAS Name: 5-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-2-bromo-2-chloro-4,4-dimethyl-3-oxo-N-phenylpentanamide IUPAC Name: 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-bromo-2-chloro-4,4-dimethyl-3-oxo-N-phenylpentanamide Traditional Name: 2-bromo-2-chloro-5-[4-(2,4-ditert-amylphenoxy)butanoylamino]-3-keto-4,4-dimethyl-N-phenyl-valeramide Formula: C33H46BrClN2O4 MolecularWeight: 650.08634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NCC(C)(C)C(=O)C(C(=O)NC2=CC=CC=C2)(Cl)Br)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NCC(C)(C)C(=O)C(C(=O)NC2=CC=CC=C2)(Cl)Br)C(C)(C)CC

InChI

InChI=1S/C33H46BrClN2O4/c1-9-30(3,4)23-18-19-26(25(21-23)31(5,6)10-2)41-20-14-17-27(38)36-22-32(7,8)28(39)33(34,35)29(40)37-24-15-12-11-13-16-24/h11-13,15-16,18-19,21H,9-10,14,17,20,22H2,1-8H3,(H,36,38)(H,37,40)