N-[4-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-2,5-dimethoxy-phenyl]benzamide

Systemtic Name: N-[4-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-2,5-dimethoxy-phenyl]benzamide Openeye Name: N-[4-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-2,5-dimethoxy-phenyl]benzamide CAS Name: N-[4-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-2,5-dimethoxyphenyl]benzamide IUPAC Name: N-[4-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide Traditional Name: N-[4-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-2,5-dimethoxy-phenyl]benzamide Formula: C27H29BrN2O5 MolecularWeight: 541.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC)Br

InChI

InChI=1S/C27H29BrN2O5/c1-4-18-12-13-23(20(28)15-18)35-14-8-11-26(31)29-21-16-25(34-3)22(17-24(21)33-2)30-27(32)19-9-6-5-7-10-19/h5-7,9-10,12-13,15-17H,4,8,11,14H2,1-3H3,(H,29,31)(H,30,32)