3-[5-fluoranyl-1-[(3-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]propanoic acid

Systemtic Name: 3-[5-fluoranyl-1-[(3-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]propanoic acid Openeye Name: 3-[5-fluoro-1-[(3-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]propanoic acid CAS Name: 3-[5-fluoro-1-[[3-(1-imidazolyl)phenyl]methyl]-3-methyl-2-indolyl]propanoic acid IUPAC Name: 3-[5-fluoro-1-[(3-imidazol-1-ylphenyl)methyl]-3-methylindol-2-yl]propanoic acid Traditional Name: 3-[5-fluoro-1-(3-imidazol-1-ylbenzyl)-3-methyl-indol-2-yl]propionic acid Formula: C22H20FN3O2 MolecularWeight: 377.411503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC(=CC=C3)N4C=CN=C4)CCC(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC(=CC=C3)N4C=CN=C4)CCC(=O)O

InChI

InChI=1S/C22H20FN3O2/c1-15-19-12-17(23)5-6-21(19)26(20(15)7-8-22(27)28)13-16-3-2-4-18(11-16)25-10-9-24-14-25/h2-6,9-12,14H,7-8,13H2,1H3,(H,27,28)