2-[2-(3-heptoxyphenoxy)ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(3-heptoxyphenoxy)ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(3-heptoxyphenoxy)acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(3-heptoxyphenoxy)-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(3-heptoxyphenoxy)acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(3-heptoxyphenoxy)acetyl]amino]-4-methyl-valeric acid Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO5/c1-4-5-6-7-8-12-26-17-10-9-11-18(14-17)27-15-20(23)22-19(21(24)25)13-16(2)3/h9-11,14,16,19H,4-8,12-13,15H2,1-3H3,(H,22,23)(H,24,25)