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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(=CC3=C(N(C(=C3)C)CC(C)C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C(=C/C3=C(N(C(=C3)C)CC(C)C)C)/C#N

InChI

InChI=1S/C25H26N2O4/c1-15(2)13-27-17(4)9-19(18(27)5)10-20(12-26)25(29)30-14-21-11-24(28)31-23-8-16(3)6-7-22(21)23/h6-11,15H,13-14H2,1-5H3/b20-10+