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

Systemtic Name: [6-cyano-2,2-dimethyl-4-[2-oxidanylidene-4-(phenylmethoxymethyl)pyridin-1-yl]-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-[4-(benzyloxymethyl)-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-(phenylmethoxymethyl)-1-pyridinyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)pyridin-1-yl]-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-[4-(benzoxymethyl)-2-keto-1-pyridyl]-6-cyano-2,2-dimethyl-chroman-3-yl] ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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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)COCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=CC(=CC3=O)COCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O5/c1-18(30)33-26-25(22-13-20(15-28)9-10-23(22)34-27(26,2)3)29-12-11-21(14-24(29)31)17-32-16-19-7-5-4-6-8-19/h4-14,25-26H,16-17H2,1-3H3