(4-methoxyphenyl) 3-cyano-2-heptan-2-yloxy-propanoate

Systemtic Name: (4-methoxyphenyl) 3-cyano-2-heptan-2-yloxy-propanoate Openeye Name: (4-methoxyphenyl) 3-cyano-2-(1-methylhexoxy)propanoate CAS Name: 3-cyano-2-heptan-2-yloxypropanoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 3-cyano-2-heptan-2-yloxypropanoate Traditional Name: 3-cyano-2-(1-methylhexoxy)propionic acid (4-methoxyphenyl) ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(CC#N)C(=O)OC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCCC(C)OC(CC#N)C(=O)OC1=CC=C(C=C1)OC

InChI

InChI=1S/C18H25NO4/c1-4-5-6-7-14(2)22-17(12-13-19)18(20)23-16-10-8-15(21-3)9-11-16/h8-11,14,17H,4-7,12H2,1-3H3