3-methyl-2-[2-(4-octoxyphenoxy)ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(4-octoxyphenoxy)ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-octoxyphenoxy)acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-(4-octoxyphenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-octoxyphenoxy)acetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(4-octoxyphenoxy)acetyl]amino]butyric acid Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C21H33NO5/c1-4-5-6-7-8-9-14-26-17-10-12-18(13-11-17)27-15-19(23)22-20(16(2)3)21(24)25/h10-13,16,20H,4-9,14-15H2,1-3H3,(H,22,23)(H,24,25)