methyl 4-[2-[4-(butanoylamino)-2-ethanoyl-phenoxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(butanoylamino)-2-ethanoyl-phenoxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-acetyl-4-(butanoylamino)phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[2-acetyl-4-(1-oxobutylamino)phenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-acetyl-4-(butanoylamino)phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-(2-acetyl-4-butyramido-phenoxy)acetyl]amino]benzoic acid methyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)C

InChI

InChI=1S/C22H24N2O6/c1-4-5-20(26)24-17-10-11-19(18(12-17)14(2)25)30-13-21(27)23-16-8-6-15(7-9-16)22(28)29-3/h6-12H,4-5,13H2,1-3H3,(H,23,27)(H,24,26)