methyl (E)-2-(3-cyanopropyl)-3-oxidanylidene-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: methyl (E)-2-(3-cyanopropyl)-3-oxidanylidene-7-pyridin-3-yl-hept-6-enoate Openeye Name: methyl (E)-2-(3-cyanopropyl)-3-oxo-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-2-(3-cyanopropyl)-3-oxo-7-(3-pyridinyl)-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-2-(3-cyanopropyl)-3-oxo-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-2-(3-cyanopropyl)-3-keto-7-(3-pyridyl)hept-6-enoic acid methyl ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC#N)C(=O)CCC=CC1=CN=CC=C1

Isomeric SMILES

COC(=O)C(CCCC#N)C(=O)CC/C=C/C1=CN=CC=C1

InChI

InChI=1S/C17H20N2O3/c1-22-17(21)15(9-4-5-11-18)16(20)10-3-2-7-14-8-6-12-19-13-14/h2,6-8,12-13,15H,3-5,9-10H2,1H3/b7-2+