(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) (E)-2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OC(C)C(=O)N2CCOCC2

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)OC(C)C(=O)N2CCOCC2

InChI

InChI=1S/C22H31N3O4/c1-15(2)6-7-25-16(3)12-19(17(25)4)13-20(14-23)22(27)29-18(5)21(26)24-8-10-28-11-9-24/h12-13,15,18H,6-11H2,1-5H3/b20-13+