2,2-dimethyl-4-[[(E)-2-octoxy-3-(3-oxidanylideneprop-2-enoxy)prop-2-enyl]amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-4-[[(E)-2-octoxy-3-(3-oxidanylideneprop-2-enoxy)prop-2-enyl]amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-[[(E)-2-octoxy-3-(3-oxoallyloxy)allyl]amino]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[[(E)-2-octoxy-3-(3-oxoprop-2-enoxy)prop-2-enyl]amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-[[(E)-2-octoxy-3-(3-oxoprop-2-enoxy)prop-2-enyl]amino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[[(E)-3-(3-ketoallyloxy)-2-octoxy-allyl]amino]-2,2-dimethyl-chroman-6-carbonitrile Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=COCC=C=O)CNC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

Isomeric SMILES

CCCCCCCCO/C(=C/OCC=C=O)/CNC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

InChI

InChI=1S/C26H36N2O5/c1-4-5-6-7-8-9-15-32-21(19-31-14-10-13-29)18-28-24-22-16-20(17-27)11-12-23(22)33-26(2,3)25(24)30/h10-12,16,19,24-25,28,30H,4-9,14-15,18H2,1-3H3/b21-19+