3-[5-fluoranyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-indol-2-yl]propanoic acid

Systemtic Name: 3-[5-fluoranyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-indol-2-yl]propanoic acid Openeye Name: 3-[5-fluoro-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-indol-2-yl]propanoic acid CAS Name: 3-[5-fluoro-1-[[4-(1-imidazolylmethyl)phenyl]methyl]-3-methyl-2-indolyl]propanoic acid IUPAC Name: 3-[5-fluoro-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methylindol-2-yl]propanoic acid Traditional Name: 3-[5-fluoro-1-[4-(imidazol-1-ylmethyl)benzyl]-3-methyl-indol-2-yl]propionic acid Formula: C23H22FN3O2 MolecularWeight: 391.438083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)CN4C=CN=C4)CCC(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)CN4C=CN=C4)CCC(=O)O

InChI

InChI=1S/C23H22FN3O2/c1-16-20-12-19(24)6-7-22(20)27(21(16)8-9-23(28)29)14-18-4-2-17(3-5-18)13-26-11-10-25-15-26/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,28,29)