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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)C2=C(C=CN2C3=C(C=C(C=C3)Cl)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)C2=C(C=CN2C3=C(C=C(C=C3)Cl)OC)CCC(=O)O

InChI

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