2-(3-cyanopentyl)-5-methoxycarbonyl-octanoic acid

Systemtic Name: 2-(3-cyanopentyl)-5-methoxycarbonyl-octanoic acid Openeye Name: 2-(3-cyanopentyl)-5-methoxycarbonyl-octanoic acid CAS Name: 2-(3-cyanopentyl)-5-methoxycarbonyloctanoic acid IUPAC Name: 2-(3-cyanopentyl)-5-methoxycarbonyloctanoic acid Traditional Name: 5-carbomethoxy-2-(3-cyanopentyl)caprylic acid Formula: C16H27NO4 MolecularWeight: 297.38988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(CCC(CC)C#N)C(=O)O)C(=O)OC

Isomeric SMILES

CCCC(CCC(CCC(CC)C#N)C(=O)O)C(=O)OC

InChI

InChI=1S/C16H27NO4/c1-4-6-14(16(20)21-3)10-9-13(15(18)19)8-7-12(5-2)11-17/h12-14H,4-10H2,1-3H3,(H,18,19)