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

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-[[(E)-3-(3-oxidanylideneprop-2-enoxy)-2-propoxy-prop-2-enyl]amino]-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-[[(E)-3-(3-oxoallyloxy)-2-propoxy-allyl]amino]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[[(E)-3-(3-oxoprop-2-enoxy)-2-propoxyprop-2-enyl]amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-[[(E)-3-(3-oxoprop-2-enoxy)-2-propoxyprop-2-enyl]amino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[[(E)-3-(3-ketoallyloxy)-2-propoxy-allyl]amino]-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-4-9-27-16(14-26-10-5-8-24)13-23-19-17-11-15(12-22)6-7-18(17)28-21(2,3)20(19)25/h5-7,11,14,19-20,23,25H,4,9-10,13H2,1-3H3/b16-14+