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

Systemtic Name: 4-[[(E)-2-butoxy-3-(3-oxidanylideneprop-2-enoxy)prop-2-enyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[[(E)-2-butoxy-3-(3-oxoallyloxy)allyl]amino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[[(E)-2-butoxy-3-(3-oxoprop-2-enoxy)prop-2-enyl]amino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[[(E)-2-butoxy-3-(3-oxoprop-2-enoxy)prop-2-enyl]amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[[(E)-2-butoxy-3-(3-ketoallyloxy)allyl]amino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-4-5-11-28-17(15-27-10-6-9-25)14-24-20-18-12-16(13-23)7-8-19(18)29-22(2,3)21(20)26/h6-8,12,15,20-21,24,26H,4-5,10-11,14H2,1-3H3/b17-15+