6-(4-ethoxyphenoxy)-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]hexanoic acid

Systemtic Name: 6-(4-ethoxyphenoxy)-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]hexanoic acid Openeye Name: 3-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-(4-ethoxyphenoxy)hexanoic acid CAS Name: 6-(4-ethoxyphenoxy)-3-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]hexanoic acid IUPAC Name: 6-(4-ethoxyphenoxy)-3-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]hexanoic acid Traditional Name: 3-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-6-(4-ethoxyphenoxy)hexanoic acid Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCCC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCCC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C25H32N2O6/c1-3-32-20-11-13-21(14-12-20)33-15-7-10-19(17-23(28)29)24(30)27-22(25(31)26-2)16-18-8-5-4-6-9-18/h4-6,8-9,11-14,19,22H,3,7,10,15-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)