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

Systemtic Name: [(1R)-1-phenylethyl] (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: [(1R)-1-phenylethyl] (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid [(1R)-1-phenylethyl] ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)OC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)/C=C(\C#N)/C(=O)O[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3/c1-15-12-19(16(2)23(15)10-11-25-4)13-20(14-22)21(24)26-17(3)18-8-6-5-7-9-18/h5-9,12-13,17H,10-11H2,1-4H3/b20-13+/t17-/m1/s1