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

Systemtic Name: 3-[2-(4-aminocarbonyl-2-methyl-phenyl)-3-(4-imidazol-1-ylphenyl)pyrrol-1-yl]propanoic acid Openeye Name: 3-[2-(4-carbamoyl-2-methyl-phenyl)-3-(4-imidazol-1-ylphenyl)pyrrol-1-yl]propanoic acid CAS Name: 3-[2-(4-carbamoyl-2-methylphenyl)-3-[4-(1-imidazolyl)phenyl]-1-pyrrolyl]propanoic acid IUPAC Name: 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-imidazol-1-ylphenyl)pyrrol-1-yl]propanoic acid Traditional Name: 3-[2-(4-carbamoyl-2-methyl-phenyl)-3-(4-imidazol-1-ylphenyl)pyrrol-1-yl]propionic acid Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)C2=C(C=CN2CCC(=O)O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)C2=C(C=CN2CCC(=O)O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-7-20(16)23-21(8-11-27(23)12-9-22(29)30)17-2-5-19(6-3-17)28-13-10-26-15-28/h2-8,10-11,13-15H,9,12H2,1H3,(H2,25,31)(H,29,30)