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

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

Click to see the large picture

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)/p-1