3-[[3-fluoranyl-4-[2-[1-methyl-5-(trifluoromethyloxy)indol-2-yl]carbonylpentyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-fluoranyl-4-[2-[1-methyl-5-(trifluoromethyloxy)indol-2-yl]carbonylpentyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-fluoro-4-[2-[1-methyl-5-(trifluoromethoxy)indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[3-fluoro-4-[2-[[1-methyl-5-(trifluoromethoxy)-2-indolyl]-oxomethyl]pentyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-fluoro-4-[2-[1-methyl-5-(trifluoromethoxy)indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-fluoro-4-[2-[1-methyl-5-(trifluoromethoxy)indole-2-carbonyl]pentyl]benzoyl]amino]propionic acid Formula: C26H26F4N2O5 MolecularWeight: 522.488653

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=C(C=C(C=C1)C(=O)NCCC(=O)O)F)C(=O)C2=CC3=C(N2C)C=CC(=C3)OC(F)(F)F

Isomeric SMILES

CCCC(CC1=C(C=C(C=C1)C(=O)NCCC(=O)O)F)C(=O)C2=CC3=C(N2C)C=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C26H26F4N2O5/c1-3-4-16(11-15-5-6-17(13-20(15)27)25(36)31-10-9-23(33)34)24(35)22-14-18-12-19(37-26(28,29)30)7-8-21(18)32(22)2/h5-8,12-14,16H,3-4,9-11H2,1-2H3,(H,31,36)(H,33,34)