3-[5-(4-bromophenyl)-1-[(3-methylphenyl)carbonylamino]pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-bromophenyl)-1-[(3-methylphenyl)carbonylamino]pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-[(3-methylbenzoyl)amino]pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-[[(3-methylphenyl)-oxomethyl]amino]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-[(3-methylbenzoyl)amino]pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-(m-toluoylamino)pyrrol-2-yl]propionic acid Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NN2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O

InChI

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