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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(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(=C1)C=CC=C2CC(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)40-20-11-8-17(9-12-20)25-26(36)34-23-13-10-19(33)15-22(23)27(37)35(25)24(28(38)39)14-18-6-3-5-16-4-1-2-7-21(16)18/h1-13,15,24-25H,14H2,(H,34,36)(H,38,39)