methyl 4-[3-(3-cyanophenyl)-5-methoxy-5-oxidanylidene-pentyl]benzoate

Systemtic Name: methyl 4-[3-(3-cyanophenyl)-5-methoxy-5-oxidanylidene-pentyl]benzoate Openeye Name: methyl 4-[3-(3-cyanophenyl)-5-methoxy-5-oxo-pentyl]benzoate CAS Name: 4-[3-(3-cyanophenyl)-5-methoxy-5-oxopentyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-cyanophenyl)-5-methoxy-5-oxopentyl]benzoate Traditional Name: 4-[3-(3-cyanophenyl)-5-keto-5-methoxy-pentyl]benzoic acid methyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC1=CC=C(C=C1)C(=O)OC)C2=CC=CC(=C2)C#N

Isomeric SMILES

COC(=O)CC(CCC1=CC=C(C=C1)C(=O)OC)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H21NO4/c1-25-20(23)13-19(18-5-3-4-16(12-18)14-22)11-8-15-6-9-17(10-7-15)21(24)26-2/h3-7,9-10,12,19H,8,11,13H2,1-2H3