(4-aminocarbonylphenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: (4-aminocarbonylphenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: (4-carbamoylphenyl)methyl (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (4-carbamoylbenzyl) ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OCC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C22H25N3O3/c1-14(2)12-25-15(3)9-19(16(25)4)10-20(11-23)22(27)28-13-17-5-7-18(8-6-17)21(24)26/h5-10,14H,12-13H2,1-4H3,(H2,24,26)/b20-10+