ethyl 3-butyl-2-cyano-3-propyl-heptanoate

Systemtic Name: ethyl 3-butyl-2-cyano-3-propyl-heptanoate Openeye Name: ethyl 3-butyl-2-cyano-3-propyl-heptanoate CAS Name: 3-butyl-2-cyano-3-propylheptanoic acid ethyl ester IUPAC Name: ethyl 3-butyl-2-cyano-3-propylheptanoate Traditional Name: 3-butyl-2-cyano-3-propyl-enanthic acid ethyl ester Formula: C17H31NO2 MolecularWeight: 281.43354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)(CCCC)C(C#N)C(=O)OCC

Isomeric SMILES

CCCCC(CCC)(CCCC)C(C#N)C(=O)OCC

InChI

InChI=1S/C17H31NO2/c1-5-9-12-17(11-7-3,13-10-6-2)15(14-18)16(19)20-8-4/h15H,5-13H2,1-4H3