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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: (2-methoxy-5-methyl-phenyl)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 (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)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 (2-methoxy-5-methyl-benzyl) ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C(=CC2=C(N(C(=C2)C)CC(C)C)C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)/C(=C/C2=C(N(C(=C2)C)CC(C)C)C)/C#N

InChI

InChI=1S/C23H28N2O3/c1-15(2)13-25-17(4)10-19(18(25)5)11-20(12-24)23(26)28-14-21-9-16(3)7-8-22(21)27-6/h7-11,15H,13-14H2,1-6H3/b20-11+