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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)[O-])C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(N(C(=C1)C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)[O-])C4=CC=C(C=C4)Br)C

InChI

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