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

Systemtic Name: 3-azanyl-5-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Openeye Name: 3-amino-5-[2-(2-benzyloxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid CAS Name: 3-amino-5-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methyl-1-pyrrolyl]-2-methylbenzoic acid IUPAC Name: 3-amino-5-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-2-methylbenzoic acid Traditional Name: 3-amino-5-[2-(2-benzoxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Formula: C26H23BrN2O3 MolecularWeight: 491.37642

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H23BrN2O3/c1-16-8-10-24(29(16)20-13-21(26(30)31)17(2)23(28)14-20)22-12-19(27)9-11-25(22)32-15-18-6-4-3-5-7-18/h3-14H,15,28H2,1-2H3,(H,30,31)