(4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (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 [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (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 [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)/C=C(\C#N)/C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C25H29N3O4/c1-18-14-22(19(2)28(18)12-13-31-3)15-23(16-26)25(30)32-17-20-6-8-21(9-7-20)24(29)27-10-4-5-11-27/h6-9,14-15H,4-5,10-13,17H2,1-3H3/b23-15+