methyl (3E)-2-cyano-2-(3-phenylazanylpropyl)hepta-3,6-dienoate

Systemtic Name: methyl (3E)-2-cyano-2-(3-phenylazanylpropyl)hepta-3,6-dienoate Openeye Name: methyl (3E)-2-(3-anilinopropyl)-2-cyano-hepta-3,6-dienoate CAS Name: (3E)-2-(3-anilinopropyl)-2-cyanohepta-3,6-dienoic acid methyl ester IUPAC Name: methyl (3E)-2-(3-anilinopropyl)-2-cyanohepta-3,6-dienoate Traditional Name: (3E)-2-(3-anilinopropyl)-2-cyano-hepta-3,6-dienoic acid methyl ester Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC1=CC=CC=C1)(C=CCC=C)C#N

Isomeric SMILES

COC(=O)C(CCCNC1=CC=CC=C1)(/C=C/CC=C)C#N

InChI

InChI=1S/C18H22N2O2/c1-3-4-8-12-18(15-19,17(21)22-2)13-9-14-20-16-10-6-5-7-11-16/h3,5-8,10-12,20H,1,4,9,13-14H2,2H3/b12-8+