N-[4-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-2,5-diethoxy-phenyl]benzamide

Systemtic Name: N-[4-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-2,5-diethoxy-phenyl]benzamide Openeye Name: N-[4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-2,5-diethoxy-phenyl]benzamide CAS Name: N-[4-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-2,5-diethoxyphenyl]benzamide IUPAC Name: N-[4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide Traditional Name: N-[4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-2,5-diethoxy-phenyl]benzamide Formula: C28H31BrN2O6 MolecularWeight: 571.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C28H31BrN2O6/c1-5-36-23-17-22(31-28(33)18-10-8-7-9-11-18)24(37-6-2)16-21(23)30-27(32)13-12-19-14-25(34-3)26(35-4)15-20(19)29/h7-11,14-17H,5-6,12-13H2,1-4H3,(H,30,32)(H,31,33)