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

Systemtic Name: 2-[3-(4-chlorophenyl)-1-(cyclopentylmethyl)-7-iodanyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-1-(cyclopentylmethyl)-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[3-(4-chlorophenyl)-1-(cyclopentylmethyl)-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[3-(4-chlorophenyl)-1-(cyclopentylmethyl)-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[3-(4-chlorophenyl)-1-(cyclopentylmethyl)-7-iodo-2,5-diketo-3H-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C29H26ClIN2O4 MolecularWeight: 628.88521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN2C3=C(C=C(C=C3)I)C(=O)N(C(C2=O)C4=CC=C(C=C4)Cl)C(C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCC(C1)CN2C3=C(C=C(C=C3)I)C(=O)N(C(C2=O)C4=CC=C(C=C4)Cl)C(C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H26ClIN2O4/c30-21-12-10-20(11-13-21)25-28(35)32(17-18-6-4-5-7-18)24-15-14-22(31)16-23(24)27(34)33(25)26(29(36)37)19-8-2-1-3-9-19/h1-3,8-16,18,25-26H,4-7,17H2,(H,36,37)