(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

InChI

InChI=1S/C26H23NO5/c1-2-3-13-30-19-9-7-17(8-10-19)14-18(16-27)25(28)31-20-11-12-22-21-5-4-6-23(21)26(29)32-24(22)15-20/h7-12,14-15H,2-6,13H2,1H3/b18-14+