3-[2-[5-bromanyl-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[5-bromanyl-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Formula: C24H24BrNO3 MolecularWeight: 454.35626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4CCCC4

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4CCCC4

InChI

InChI=1S/C24H24BrNO3/c1-16-9-11-22(26(16)20-8-4-7-18(13-20)24(27)28)21-14-19(25)10-12-23(21)29-15-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6,15H2,1H3,(H,27,28)