methyl 3-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]benzoate

Systemtic Name: methyl 3-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]benzoate Openeye Name: methyl 3-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate Traditional Name: 3-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]benzoic acid methyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4/c1-14(2)15-9-10-19(18(22)13-15)27-11-5-8-20(24)23-17-7-4-6-16(12-17)21(25)26-3/h4,6-7,9-10,12-14H,5,8,11H2,1-3H3,(H,23,24)