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

Systemtic Name: [(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [(1R)-2-(4-acetamidophenyl)-1-methyl-2-oxo-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 [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-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 [(1R)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C24H27N3O4/c1-6-11-27-15(2)12-20(16(27)3)13-21(14-25)24(30)31-17(4)23(29)19-7-9-22(10-8-19)26-18(5)28/h7-10,12-13,17H,6,11H2,1-5H3,(H,26,28)/b21-13+/t17-/m1/s1