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

Systemtic Name: methyl 4-[[2-[4-(butanoylamino)-2-ethanoyl-phenoxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-acetyl-4-(butanoylamino)phenoxy]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-acetyl-4-(1-oxobutylamino)phenoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-acetyl-4-(butanoylamino)phenoxy]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2-acetyl-4-butyramido-phenoxy)acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C(=O)C

InChI

InChI=1S/C23H26N2O6/c1-4-5-21(27)25-18-10-11-20(19(12-18)15(2)26)31-14-22(28)24-13-16-6-8-17(9-7-16)23(29)30-3/h6-12H,4-5,13-14H2,1-3H3,(H,24,28)(H,25,27)