2-[2-methyl-1-[4-[[4-methyl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-[[4-methyl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-[[4-methyl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[[4-[[4-methyl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]phenyl]-oxomethyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-[[4-methyl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-[[4-methyl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]acetic acid Formula: C29H25F3N2O5 MolecularWeight: 538.51441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CN(C5=C(O4)C=CC(=C5)C(F)(F)F)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CN(C5=C(O4)C=CC(=C5)C(F)(F)F)C)CC(=O)O

InChI

InChI=1S/C29H25F3N2O5/c1-17-12-23-19(13-27(35)36)4-3-5-24(23)34(17)28(37)18-6-9-21(10-7-18)38-16-22-15-33(2)25-14-20(29(30,31)32)8-11-26(25)39-22/h3-12,14,22H,13,15-16H2,1-2H3,(H,35,36)