2-(3-methylphenoxy)ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-16(2)15-25-18(4)12-20(19(25)5)13-21(14-24)23(26)28-10-9-27-22-8-6-7-17(3)11-22/h6-8,11-13,16H,9-10,15H2,1-5H3/b21-13+