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

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-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 [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] (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-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-6-12-26-16(2)13-19(17(26)3)14-20(15-24)23(28)29-21(22(27)25(4)5)18-10-8-7-9-11-18/h7-11,13-14,21H,6,12H2,1-5H3/b20-14+/t21-/m1/s1