3-[3-[[2-(2,4-dimethylphenoxy)butanoylamino]carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[[2-(2,4-dimethylphenoxy)butanoylamino]carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-[[2-(2,4-dimethylphenoxy)butanoylamino]carbamoyl]-4-hydroxy-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-[[[2-(2,4-dimethylphenoxy)-1-oxobutyl]hydrazo]-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-[[2-(2,4-dimethylphenoxy)butanoylamino]carbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[3-[[2-(2,4-dimethylphenoxy)butanoylamino]carbamoyl]-4-hydroxy-1-naphthyl]thio]propionic acid Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NNC(=O)C1=C(C2=CC=CC=C2C(=C1)SCCC(=O)O)O)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC(C(=O)NNC(=O)C1=C(C2=CC=CC=C2C(=C1)SCCC(=O)O)O)OC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C26H28N2O6S/c1-4-20(34-21-10-9-15(2)13-16(21)3)26(33)28-27-25(32)19-14-22(35-12-11-23(29)30)17-7-5-6-8-18(17)24(19)31/h5-10,13-14,20,31H,4,11-12H2,1-3H3,(H,27,32)(H,28,33)(H,29,30)