N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-bromanyl-pyridin-2-yl]benzamide

Systemtic Name: N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-bromanyl-pyridin-2-yl]benzamide Openeye Name: N-[5-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-3-bromo-2-pyridyl]benzamide CAS Name: N-[5-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-3-bromo-2-pyridinyl]benzamide IUPAC Name: N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-bromopyridin-2-yl]benzamide Traditional Name: N-[3-bromo-5-[2-(2,4-ditert-amylphenoxy)butanoylamino]-2-pyridyl]benzamide Formula: C32H40BrN3O3 MolecularWeight: 594.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(N=C1)NC(=O)C2=CC=CC=C2)Br)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(N=C1)NC(=O)C2=CC=CC=C2)Br)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C32H40BrN3O3/c1-8-26(39-27-17-16-22(31(4,5)9-2)18-24(27)32(6,7)10-3)30(38)35-23-19-25(33)28(34-20-23)36-29(37)21-14-12-11-13-15-21/h11-20,26H,8-10H2,1-7H3,(H,35,38)(H,34,36,37)