[(1S)-1-phenylethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [(1S)-1-phenylethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [(1S)-1-phenylethyl] (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)-1-phenylethyl] ester IUPAC Name: [(1S)-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)-1-phenylethyl] ester Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2/c1-5-11-23-15(2)12-19(16(23)3)13-20(14-22)21(24)25-17(4)18-9-7-6-8-10-18/h6-10,12-13,17H,5,11H2,1-4H3/b20-13+/t17-/m0/s1