[6-cyano-2,2-dimethyl-4-[2-oxidanylidene-4-(2-phenylmethoxyethyl)pyridin-1-yl]-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [6-cyano-2,2-dimethyl-4-[2-oxidanylidene-4-(2-phenylmethoxyethyl)pyridin-1-yl]-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-[4-(2-benzyloxyethyl)-2-oxo-1-pyridyl]-6-cyano-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [6-cyano-2,2-dimethyl-4-[2-oxo-4-(2-phenylmethoxyethyl)-1-pyridinyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-2,2-dimethyl-4-[2-oxo-4-(2-phenylmethoxyethyl)pyridin-1-yl]-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-[4-(2-benzoxyethyl)-2-keto-1-pyridyl]-6-cyano-2,2-dimethyl-chroman-3-yl] ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=CC(=CC3=O)CCOCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=CC(=CC3=O)CCOCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O5/c1-19(31)34-27-26(23-15-22(17-29)9-10-24(23)35-28(27,2)3)30-13-11-20(16-25(30)32)12-14-33-18-21-7-5-4-6-8-21/h4-11,13,15-16,26-27H,12,14,18H2,1-3H3