methyl 4-[4-aminocarbonyl-1-[(3-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-1-[(3-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-(3-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21ClN2O3/c1-13-19(16-7-9-17(10-8-16)22(27)28-3)20(21(24)26)14(2)25(13)12-15-5-4-6-18(23)11-15/h4-11H,12H2,1-3H3,(H2,24,26)