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

Systemtic Name: 3-azanyl-5-[2-[2-[(4-fluorophenyl)methoxy]-5-methyl-phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Openeye Name: 3-amino-5-[2-[2-[(4-fluorophenyl)methoxy]-5-methyl-phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid CAS Name: 3-amino-5-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-5-methyl-1-pyrrolyl]-2-methylbenzoic acid IUPAC Name: 3-amino-5-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-5-methylpyrrol-1-yl]-2-methylbenzoic acid Traditional Name: 3-amino-5-[2-[2-(4-fluorobenzyl)oxy-5-methyl-phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Formula: C27H25FN2O3 MolecularWeight: 444.497403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)F)C3=CC=C(N3C4=CC(=C(C(=C4)C(=O)O)C)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)F)C3=CC=C(N3C4=CC(=C(C(=C4)C(=O)O)C)N)C

InChI

InChI=1S/C27H25FN2O3/c1-16-4-11-26(33-15-19-6-8-20(28)9-7-19)23(12-16)25-10-5-17(2)30(25)21-13-22(27(31)32)18(3)24(29)14-21/h4-14H,15,29H2,1-3H3,(H,31,32)