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

Systemtic Name: [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [(1S)-2-methoxy-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 [(1S)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-methoxy-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 [(1S)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-5-11-24-15(2)12-18(16(24)3)13-19(14-23)21(25)28-20(22(26)27-4)17-9-7-6-8-10-17/h6-10,12-13,20H,5,11H2,1-4H3/b19-13+/t20-/m0/s1