3-[1-(4-acetamidophenyl)-5-(4-bromophenyl)pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-(4-acetamidophenyl)-5-(4-bromophenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[1-(4-acetamidophenyl)-5-(4-bromophenyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(4-acetamidophenyl)-5-(4-bromophenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(4-acetamidophenyl)-5-(4-bromophenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-(4-acetamidophenyl)-5-(4-bromophenyl)pyrrol-2-yl]propionate Formula: C21H18BrN2O3- MolecularWeight: 426.28322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)[O-]

InChI

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