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

Systemtic Name: N-[4-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-2,5-diethoxy-phenyl]benzamide Openeye Name: N-[4-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-2,5-diethoxy-phenyl]benzamide CAS Name: N-[4-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-2,5-diethoxyphenyl]benzamide IUPAC Name: N-[4-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-2,5-diethoxyphenyl]benzamide Traditional Name: N-[4-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-2,5-diethoxy-phenyl]benzamide Formula: C30H35BrN2O5 MolecularWeight: 583.5133

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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)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)Br

InChI

InChI=1S/C30H35BrN2O5/c1-5-36-27-19-25(33-30(35)21-11-8-7-9-12-21)28(37-6-2)18-24(27)32-29(34)13-10-16-38-26-15-14-22(20(3)4)17-23(26)31/h7-9,11-12,14-15,17-20H,5-6,10,13,16H2,1-4H3,(H,32,34)(H,33,35)