[6-cyano-2,2-dimethyl-4-[2-oxidanylidene-4,5-bis(phenylmethoxymethyl)pyridin-1-yl]-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [6-cyano-2,2-dimethyl-4-[2-oxidanylidene-4,5-bis(phenylmethoxymethyl)pyridin-1-yl]-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-[4,5-bis(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-4,5-bis(phenylmethoxymethyl)-1-pyridinyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-2,2-dimethyl-4-[2-oxo-4,5-bis(phenylmethoxymethyl)pyridin-1-yl]-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-[4,5-bis(benzoxymethyl)-2-keto-1-pyridyl]-6-cyano-2,2-dimethyl-chroman-3-yl] ester Formula: C35H34N2O6 MolecularWeight: 578.65426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=C(C(=CC3=O)COCC4=CC=CC=C4)COCC5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=C(C(=CC3=O)COCC4=CC=CC=C4)COCC5=CC=CC=C5

InChI

InChI=1S/C35H34N2O6/c1-24(38)42-34-33(30-16-27(18-36)14-15-31(30)43-35(34,2)3)37-19-29(23-41-21-26-12-8-5-9-13-26)28(17-32(37)39)22-40-20-25-10-6-4-7-11-25/h4-17,19,33-34H,20-23H2,1-3H3