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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

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