ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-(1-benzyl-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propanoate CAS Name: 3-[7-iodo-2,5-dioxo-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(1-benzyl-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-3-phenylpropanoate Traditional Name: 3-(1-benzyl-7-iodo-2,5-diketo-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propionic acid ethyl ester Formula: C27H25IN2O4 MolecularWeight: 568.40287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)I)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)I)CC4=CC=CC=C4

InChI

InChI=1S/C27H25IN2O4/c1-2-34-26(32)16-24(20-11-7-4-8-12-20)30-18-25(31)29(17-19-9-5-3-6-10-19)23-14-13-21(28)15-22(23)27(30)33/h3-15,24H,2,16-18H2,1H3