2-[3-(4-chlorophenyl)-7-iodanyl-1-(3-methylbutyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-7-iodanyl-1-(3-methylbutyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-7-iodo-1-isopentyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[3-(4-chlorophenyl)-7-iodo-1-(3-methylbutyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[3-(4-chlorophenyl)-7-iodo-1-(3-methylbutyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[3-(4-chlorophenyl)-7-iodo-1-isoamyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C28H26ClIN2O4 MolecularWeight: 616.87451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)I)C(=O)N(C(C1=O)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)I)C(=O)N(C(C1=O)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H26ClIN2O4/c1-17(2)14-15-31-23-13-12-21(30)16-22(23)26(33)32(25(28(35)36)18-6-4-3-5-7-18)24(27(31)34)19-8-10-20(29)11-9-19/h3-13,16-17,24-25H,14-15H2,1-2H3,(H,35,36)