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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (7-acetamido-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 (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-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 (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C)C

InChI

InChI=1S/C25H25N3O5/c1-5-8-28-15(2)9-18(16(28)3)10-19(13-26)25(31)32-14-20-11-24(30)33-23-12-21(27-17(4)29)6-7-22(20)23/h6-7,9-12H,5,8,14H2,1-4H3,(H,27,29)/b19-10+