(3-cyano-2-methyl-propyl) 4-octoxybenzoate

Systemtic Name: (3-cyano-2-methyl-propyl) 4-octoxybenzoate Openeye Name: (3-cyano-2-methyl-propyl) 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid (3-cyano-2-methylpropyl) ester IUPAC Name: (3-cyano-2-methylpropyl) 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid (3-cyano-2-methyl-propyl) ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OCC(C)CC#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OCC(C)CC#N

InChI

InChI=1S/C20H29NO3/c1-3-4-5-6-7-8-15-23-19-11-9-18(10-12-19)20(22)24-16-17(2)13-14-21/h9-12,17H,3-8,13,15-16H2,1-2H3