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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)I)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)I)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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