5-[2-[5-bromanyl-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid

Systemtic Name: 5-[2-[5-bromanyl-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Openeye Name: 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid CAS Name: 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-1-pyrrolyl]-2-methylbenzoic acid IUPAC Name: 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methylpyrrol-1-yl]-2-methylbenzoic acid Traditional Name: 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Formula: C25H26BrNO3 MolecularWeight: 468.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC=C2C3=C(C=CC(=C3)Br)OCC4CCCC4)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC=C2C3=C(C=CC(=C3)Br)OCC4CCCC4)C)C(=O)O

InChI

InChI=1S/C25H26BrNO3/c1-16-7-10-20(14-21(16)25(28)29)27-17(2)8-11-23(27)22-13-19(26)9-12-24(22)30-15-18-5-3-4-6-18/h7-14,18H,3-6,15H2,1-2H3,(H,28,29)