methyl 4-(6-cyano-7-ethoxy-7-oxidanylidene-heptyl)benzoate

Systemtic Name: methyl 4-(6-cyano-7-ethoxy-7-oxidanylidene-heptyl)benzoate Openeye Name: methyl 4-(6-cyano-7-ethoxy-7-oxo-heptyl)benzoate CAS Name: 4-(6-cyano-7-ethoxy-7-oxoheptyl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-cyano-7-ethoxy-7-oxoheptyl)benzoate Traditional Name: 4-(6-cyano-7-ethoxy-7-keto-heptyl)benzoic acid methyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCC1=CC=C(C=C1)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)C(CCCCCC1=CC=C(C=C1)C(=O)OC)C#N

InChI

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