2-[4-[1-(4-bromophenyl)-5-ethyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate

Systemtic Name: 2-[4-[1-(4-bromophenyl)-5-ethyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-(4-bromophenyl)-5-ethyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-(4-bromophenyl)-5-ethyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-(4-bromophenyl)-5-ethylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-(4-bromophenyl)-5-ethyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C27H23BrNO3- MolecularWeight: 489.38042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C27H24BrNO3/c1-2-22-14-17-25(29(22)23-12-10-21(28)11-13-23)20-8-15-24(16-9-20)32-26(27(30)31)18-19-6-4-3-5-7-19/h3-17,26H,2,18H2,1H3,(H,30,31)/p-1