[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O3/c1-14(2)23-15(3)11-19(16(23)4)20(24)13-26-21(25)10-9-17-5-7-18(12-22)8-6-17/h5-11,14H,13H2,1-4H3/b10-9+