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

Systemtic Name: (3-cyanophenyl)methyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (3-cyanophenyl)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 (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)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 (3-cyanobenzyl) ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-15-9-19(16(2)24(15)7-8-26-3)11-20(13-23)21(25)27-14-18-6-4-5-17(10-18)12-22/h4-6,9-11H,7-8,14H2,1-3H3/b20-11+