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

Systemtic Name: 2-[3-(4-chlorophenyl)-7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-naphthalen-1-yl-propanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-(1-naphthyl)propanoic acid CAS Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-(1-naphthalenyl)propanoic acid IUPAC Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-naphthalen-1-ylpropanoic acid Traditional Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-(1-naphthyl)propionic acid Formula: C28H20ClIN2O4 MolecularWeight: 610.82687

Click to see the large picture

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)Cl

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)Cl

InChI

InChI=1S/C28H20ClIN2O4/c29-19-10-8-17(9-11-19)25-26(33)31-23-13-12-20(30)15-22(23)27(34)32(25)24(28(35)36)14-18-6-3-5-16-4-1-2-7-21(16)18/h1-13,15,24-25H,14H2,(H,31,33)(H,35,36)