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

Systemtic Name: 3-[5-(4-bromophenyl)-1-[(4-tert-butylphenyl)carbonylamino]pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-[(4-tert-butylbenzoyl)amino]pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-[(4-tert-butylbenzoyl)amino]pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-[(4-tert-butylbenzoyl)amino]pyrrol-2-yl]propionic acid Formula: C24H25BrN2O3 MolecularWeight: 469.3709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O3/c1-24(2,3)18-8-4-17(5-9-18)23(30)26-27-20(13-15-22(28)29)12-14-21(27)16-6-10-19(25)11-7-16/h4-12,14H,13,15H2,1-3H3,(H,26,30)(H,28,29)