2-[4-(3-cyano-2-methyl-heptan-3-yl)phenoxy]-2-methoxy-ethanoic acid

Systemtic Name: 2-[4-(3-cyano-2-methyl-heptan-3-yl)phenoxy]-2-methoxy-ethanoic acid Openeye Name: 2-[4-(1-cyano-1-isopropyl-pentyl)phenoxy]-2-methoxy-acetic acid CAS Name: 2-[4-(3-cyano-2-methylheptan-3-yl)phenoxy]-2-methoxyacetic acid IUPAC Name: 2-[4-(3-cyano-2-methylheptan-3-yl)phenoxy]-2-methoxyacetic acid Traditional Name: 2-[4-(1-cyano-1-isopropyl-pentyl)phenoxy]-2-methoxy-acetic acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#N)(C1=CC=C(C=C1)OC(C(=O)O)OC)C(C)C

Isomeric SMILES

CCCCC(C#N)(C1=CC=C(C=C1)OC(C(=O)O)OC)C(C)C

InChI

InChI=1S/C18H25NO4/c1-5-6-11-18(12-19,13(2)3)14-7-9-15(10-8-14)23-17(22-4)16(20)21/h7-10,13,17H,5-6,11H2,1-4H3,(H,20,21)