methyl 4-[2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]ethyl]benzoate CAS Name: 4-[2-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]ethyl]benzoate Traditional Name: 4-[2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]ethyl]benzoic acid methyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C20H22BrNO4/c1-25-18-9-5-15(13-17(18)21)6-10-19(23)22-12-11-14-3-7-16(8-4-14)20(24)26-2/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,22,23)