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

Systemtic Name: 3-[5-(4-bromophenyl)-1-phenethyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-phenethyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-phenethyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-phenethylpyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-phenethyl-pyrrol-2-yl]propionic acid Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O

InChI

InChI=1S/C21H20BrNO2/c22-18-8-6-17(7-9-18)20-12-10-19(11-13-21(24)25)23(20)15-14-16-4-2-1-3-5-16/h1-10,12H,11,13-15H2,(H,24,25)