4-[[2-[3-(2,4-dimethoxyphenyl)octanoylamino]phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[3-(2,4-dimethoxyphenyl)octanoylamino]phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[[2-[[3-(2,4-dimethoxyphenyl)-1-oxooctyl]amino]phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoyl]amino]-4-keto-butyric acid Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=CC=CC=C1C(=O)NC(=O)CCC(=O)O)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=CC=CC=C1C(=O)NC(=O)CCC(=O)O)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C27H34N2O7/c1-4-5-6-9-18(20-13-12-19(35-2)17-23(20)36-3)16-25(31)28-22-11-8-7-10-21(22)27(34)29-24(30)14-15-26(32)33/h7-8,10-13,17-18H,4-6,9,14-16H2,1-3H3,(H,28,31)(H,32,33)(H,29,30,34)