(4-chlorophenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (4-chlorophenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (4-chlorophenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid (4-chlorobenzyl) ester Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C20H21ClN2O2/c1-4-9-23-14(2)10-17(15(23)3)11-18(12-22)20(24)25-13-16-5-7-19(21)8-6-16/h5-8,10-11H,4,9,13H2,1-3H3/b18-11+