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

Systemtic Name: 2-[4-[1-(4-bromophenyl)-5-propyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-(4-bromophenyl)-5-propyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-(4-bromophenyl)-5-propyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-(4-bromophenyl)-5-propylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-(4-bromophenyl)-5-propyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C28H25BrNO3- MolecularWeight: 503.407

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCCC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C28H26BrNO3/c1-2-6-23-15-18-26(30(23)24-13-11-22(29)12-14-24)21-9-16-25(17-10-21)33-27(28(31)32)19-20-7-4-3-5-8-20/h3-5,7-18,27H,2,6,19H2,1H3,(H,31,32)/p-1