(3-cyanophenyl)methyl 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid (3-cyanobenzyl) ester Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H19ClN2O3/c1-14-9-19(22(26)28-13-17-6-4-5-16(10-17)12-24)15(2)25(14)20-11-18(23)7-8-21(20)27-3/h4-11H,13H2,1-3H3