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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(3,4-dimethylphenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[5-(4-bromophenyl)-1-(3,4-dimethylphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-bromophenyl)-1-(3,4-dimethylphenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[5-(4-bromophenyl)-1-(3,4-dimethylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[5-(4-bromophenyl)-1-(3,4-dimethylphenyl)pyrrol-2-yl]propionate Formula: C21H19BrNO2- MolecularWeight: 397.28506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)[O-])C

InChI

InChI=1S/C21H20BrNO2/c1-14-3-8-19(13-15(14)2)23-18(10-12-21(24)25)9-11-20(23)16-4-6-17(22)7-5-16/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)/p-1