2-[2-(3-heptoxyphenoxy)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(3-heptoxyphenoxy)ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(3-heptoxyphenoxy)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(3-heptoxyphenoxy)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(3-heptoxyphenoxy)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(3-heptoxyphenoxy)acetyl]amino]-3-methyl-butyric acid Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)OCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)OCC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C20H31NO5/c1-4-5-6-7-8-12-25-16-10-9-11-17(13-16)26-14-18(22)21-19(15(2)3)20(23)24/h9-11,13,15,19H,4-8,12,14H2,1-3H3,(H,21,22)(H,23,24)