(8-ethanoyl-4-methyl-2-oxidanylidene-chromen-7-yl) (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: (8-ethanoyl-4-methyl-2-oxidanylidene-chromen-7-yl) (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: (8-acetyl-4-methyl-2-oxo-chromen-7-yl) (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-2-propenoic acid (8-acetyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (8-acetyl-4-methyl-2-oxochromen-7-yl) (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acrylic acid (8-acetyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C29H29NO7 MolecularWeight: 503.54306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)OC2=C(C3=C(C=C2)C(=CC(=O)O3)C)C(=O)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)OC2=C(C3=C(C=C2)C(=CC(=O)O3)C)C(=O)C)OC

InChI

InChI=1S/C29H29NO7/c1-5-6-7-8-13-35-23-11-9-20(16-25(23)34-4)15-21(17-30)29(33)36-24-12-10-22-18(2)14-26(32)37-28(22)27(24)19(3)31/h9-12,14-16H,5-8,13H2,1-4H3/b21-15+