octan-2-yl 3-cyano-6-methanoyloxy-3-methyl-hexanoate

Systemtic Name: octan-2-yl 3-cyano-6-methanoyloxy-3-methyl-hexanoate Openeye Name: 1-methylheptyl 3-cyano-6-formyloxy-3-methyl-hexanoate CAS Name: 3-cyano-6-formyloxy-3-methylhexanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-cyano-6-formyloxy-3-methylhexanoate Traditional Name: 3-cyano-6-formyloxy-3-methyl-hexanoic acid 1-methylheptyl ester Formula: C17H29NO4 MolecularWeight: 311.41646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CC(C)(CCCOC=O)C#N

Isomeric SMILES

CCCCCCC(C)OC(=O)CC(C)(CCCOC=O)C#N

InChI

InChI=1S/C17H29NO4/c1-4-5-6-7-9-15(2)22-16(20)12-17(3,13-18)10-8-11-21-14-19/h14-15H,4-12H2,1-3H3