3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(3-chloranyl-4-methoxy-phenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(3-chloranyl-4-methoxy-phenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(4-carbamoyl-2-methyl-phenyl)-5-(3-chloro-4-methoxy-phenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-carbamoyl-2-methylphenyl)-5-(3-chloro-4-methoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-carbamoyl-2-methylphenyl)-5-(3-chloro-4-methoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-carbamoyl-2-methyl-phenyl)-5-(3-chloro-4-methoxy-phenyl)pyrrol-2-yl]propionic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC(=C(C=C3)OC)Cl)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC(=C(C=C3)OC)Cl)CCC(=O)O

InChI

InChI=1S/C22H21ClN2O4/c1-13-11-15(22(24)28)3-7-18(13)25-16(6-10-21(26)27)5-8-19(25)14-4-9-20(29-2)17(23)12-14/h3-5,7-9,11-12H,6,10H2,1-2H3,(H2,24,28)(H,26,27)