methyl 4-(3-cyano-2-methyl-6-oxidanylidene-hexan-3-yl)benzoate

Systemtic Name: methyl 4-(3-cyano-2-methyl-6-oxidanylidene-hexan-3-yl)benzoate Openeye Name: methyl 4-(1-cyano-1-isopropyl-4-oxo-butyl)benzoate CAS Name: 4-(3-cyano-2-methyl-6-oxohexan-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-2-methyl-6-oxohexan-3-yl)benzoate Traditional Name: 4-(1-cyano-1-isopropyl-4-keto-butyl)benzoic acid methyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-12(2)16(11-17,9-4-10-18)14-7-5-13(6-8-14)15(19)20-3/h5-8,10,12H,4,9H2,1-3H3