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

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) (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 (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) (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-4-propyl-chromen-7-yl) ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(=CC3=C(N(C(=C3)C)CCC)C)C#N

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)/C(=C/C3=C(N(C(=C3)C)CCC)C)/C#N

InChI

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