N-[4-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-2,5-diethoxy-phenyl]benzamide

Systemtic Name: N-[4-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-2,5-diethoxy-phenyl]benzamide Openeye Name: N-[4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-2,5-diethoxy-phenyl]benzamide CAS Name: N-[4-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-2,5-diethoxyphenyl]benzamide IUPAC Name: N-[4-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-2,5-diethoxyphenyl]benzamide Traditional Name: N-[4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-2,5-diethoxy-phenyl]benzamide Formula: C31H37BrN2O5 MolecularWeight: 597.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C31H37BrN2O5/c1-6-37-27-20-25(34-30(36)21-12-9-8-10-13-21)28(38-7-2)19-24(27)33-29(35)14-11-17-39-26-16-15-22(18-23(26)32)31(3,4)5/h8-10,12-13,15-16,18-20H,6-7,11,14,17H2,1-5H3,(H,33,35)(H,34,36)