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

Systemtic Name: 3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(4-chloranyl-2-oxidanyl-phenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(4-carbamoyl-2-methyl-phenyl)-5-(4-chloro-2-hydroxy-phenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-carbamoyl-2-methylphenyl)-5-(4-chloro-2-hydroxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-carbamoyl-2-methylphenyl)-5-(4-chloro-2-hydroxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-carbamoyl-2-methyl-phenyl)-5-(4-chloro-2-hydroxy-phenyl)pyrrol-2-yl]propionic acid Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4/c1-12-10-13(21(23)28)2-7-17(12)24-15(5-9-20(26)27)4-8-18(24)16-6-3-14(22)11-19(16)25/h2-4,6-8,10-11,25H,5,9H2,1H3,(H2,23,28)(H,26,27)