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

Systemtic Name: 3-methyl-2-[2-(4-pentoxyphenoxy)ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-pentoxyphenoxy)acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(4-pentoxyphenoxy)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-pentoxyphenoxy)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(4-amoxyphenoxy)acetyl]amino]-3-methyl-butyric acid Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)OCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)OCC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C18H27NO5/c1-4-5-6-11-23-14-7-9-15(10-8-14)24-12-16(20)19-17(13(2)3)18(21)22/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,19,20)(H,21,22)