2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl (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-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl (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-phthalimidoethyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C23H23N3O4/c1-4-9-25-15(2)12-17(16(25)3)13-18(14-24)23(29)30-11-10-26-21(27)19-7-5-6-8-20(19)22(26)28/h5-8,12-13H,4,9-11H2,1-3H3/b18-13+