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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(4-dimethylaminophenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[5-(4-bromophenyl)-1-(4-dimethylaminophenyl)pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-bromophenyl)-1-(4-dimethylaminophenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[5-(4-bromophenyl)-1-(4-dimethylaminophenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[5-(4-bromophenyl)-1-(4-dimethylaminophenyl)pyrrol-2-yl]propionate Formula: C21H20BrN2O2- MolecularWeight: 412.2997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O2/c1-23(2)17-7-9-18(10-8-17)24-19(12-14-21(25)26)11-13-20(24)15-3-5-16(22)6-4-15/h3-11,13H,12,14H2,1-2H3,(H,25,26)/p-1