2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[7-iodo-2,5-diketo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-(2-naphthyl)propionic acid Formula: C29H20F3IN2O5 MolecularWeight: 660.37918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)O)N3C(C(=O)NC4=C(C3=O)C=C(C=C4)I)C5=CC=C(C=C5)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)O)N3C(C(=O)NC4=C(C3=O)C=C(C=C4)I)C5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C29H20F3IN2O5/c30-29(31,32)40-21-10-7-18(8-11-21)25-26(36)34-23-12-9-20(33)15-22(23)27(37)35(25)24(28(38)39)14-16-5-6-17-3-1-2-4-19(17)13-16/h1-13,15,24-25H,14H2,(H,34,36)(H,38,39)