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

Systemtic Name: 2-[4-[1-(4-bromophenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-(4-bromophenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-(4-bromophenyl)-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-(4-bromophenyl)pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-(4-bromophenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C25H19BrNO3- MolecularWeight: 461.32726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])OC2=CC=C(C=C2)C3=CC=CN3C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)[O-])OC2=CC=C(C=C2)C3=CC=CN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H20BrNO3/c26-20-10-12-21(13-11-20)27-16-4-7-23(27)19-8-14-22(15-9-19)30-24(25(28)29)17-18-5-2-1-3-6-18/h1-16,24H,17H2,(H,28,29)/p-1