methyl 4-(6-cyano-4-ethoxycarbonyl-hexyl)benzoate

Systemtic Name: methyl 4-(6-cyano-4-ethoxycarbonyl-hexyl)benzoate Openeye Name: methyl 4-(6-cyano-4-ethoxycarbonyl-hexyl)benzoate CAS Name: 4-(6-cyano-4-ethoxycarbonylhexyl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-cyano-4-ethoxycarbonylhexyl)benzoate Traditional Name: 4-(4-carbethoxy-6-cyano-hexyl)benzoic acid methyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1=CC=C(C=C1)C(=O)OC)CCC#N

Isomeric SMILES

CCOC(=O)C(CCCC1=CC=C(C=C1)C(=O)OC)CCC#N

InChI

InChI=1S/C18H23NO4/c1-3-23-18(21)15(8-5-13-19)7-4-6-14-9-11-16(12-10-14)17(20)22-2/h9-12,15H,3-8H2,1-2H3