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

Systemtic Name: 3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(4-bromophenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-(4-carbamoyl-2-methyl-phenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-(4-carbamoyl-2-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-(4-carbamoyl-2-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-(4-carbamoyl-2-methyl-phenyl)pyrrol-2-yl]propionic acid Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O3/c1-13-12-15(21(23)27)4-9-18(13)24-17(8-11-20(25)26)7-10-19(24)14-2-5-16(22)6-3-14/h2-7,9-10,12H,8,11H2,1H3,(H2,23,27)(H,25,26)