(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C

InChI

InChI=1S/C25H26N2O4/c1-6-7-27-17(4)10-19(18(27)5)11-20(13-26)25(29)30-14-21-12-24(28)31-23-9-16(3)15(2)8-22(21)23/h8-12H,6-7,14H2,1-5H3/b20-11+