2-[(4R)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-3,5-dimethoxy-benzoate

Systemtic Name: 2-[(4R)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-3,5-dimethoxy-benzoate Openeye Name: 2-[(4R)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-3,5-dimethoxy-benzoate CAS Name: 2-[(4R)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-3,5-dimethoxybenzoate IUPAC Name: 2-[(4R)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-3,5-dimethoxybenzoate Traditional Name: 2-[(4R)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-3,5-dimethoxy-benzoate Formula: C18H16N3O4- MolecularWeight: 338.33734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C#N)C2=C(C=C(C=C2C(=O)[O-])OC)OC)C#N)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C#N)C2=C(C=C(C=C2C(=O)[O-])OC)OC)C#N)C

InChI

InChI=1S/C18H17N3O4/c1-9-13(7-19)16(14(8-20)10(2)21-9)17-12(18(22)23)5-11(24-3)6-15(17)25-4/h5-6,13,16H,1-4H3,(H,22,23)/p-1/t13?,16-/m1/s1