3-azanyl-5-[2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid

Systemtic Name: 3-azanyl-5-[2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Openeye Name: 3-amino-5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid CAS Name: 3-amino-5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-1-pyrrolyl]-2-methylbenzoic acid IUPAC Name: 3-amino-5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-methylbenzoic acid Traditional Name: 3-amino-5-[2-[5-bromo-2-(4-fluorobenzyl)oxy-phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Formula: C26H22BrFN2O3 MolecularWeight: 509.366883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C(=C2)C(=O)O)C)N)C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C(=C2)C(=O)O)C)N)C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H22BrFN2O3/c1-15-3-9-24(30(15)20-12-21(26(31)32)16(2)23(29)13-20)22-11-18(27)6-10-25(22)33-14-17-4-7-19(28)8-5-17/h3-13H,14,29H2,1-2H3,(H,31,32)