methyl 4-[[2-chloranyl-5-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[2-chloranyl-5-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]butanoate CAS Name: 4-[[[2-chloro-5-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]butanoate Traditional Name: 4-[[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]butyric acid methyl ester Formula: C18H21ClN2O3 MolecularWeight: 348.82394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2)Cl)C(=O)NCCCC(=O)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)Cl)C(=O)NCCCC(=O)OC)C

InChI

InChI=1S/C18H21ClN2O3/c1-12-6-7-13(2)21(12)14-8-9-16(19)15(11-14)18(23)20-10-4-5-17(22)24-3/h6-9,11H,4-5,10H2,1-3H3,(H,20,23)