2-[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydrobenzo[h][1,4]benzodiazepin-4-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydrobenzo[h][1,4]benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydrobenzo[h][1,4]benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydrobenzo[h][1,4]benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydrobenzo[h][1,4]benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[2,5-diketo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydrobenzo[h][1,4]benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C28H19F3N2O5 MolecularWeight: 520.45607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=CC4=CC=CC=C4C=C3C2=O)C5=CC=C(C=C5)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=CC4=CC=CC=C4C=C3C2=O)C5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C28H19F3N2O5/c29-28(30,31)38-20-12-10-17(11-13-20)23-25(34)32-22-15-19-9-5-4-8-18(19)14-21(22)26(35)33(23)24(27(36)37)16-6-2-1-3-7-16/h1-15,23-24H,(H,32,34)(H,36,37)