methyl (2R)-2-[7-iodanyl-2,5-bis(oxidanylidene)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[7-iodanyl-2,5-bis(oxidanylidene)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-(7-iodo-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl)-3-phenyl-propanoate CAS Name: (2R)-2-(7-iodo-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-(7-iodo-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl)-3-phenylpropanoate Traditional Name: (2R)-2-(7-iodo-2,5-diketo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl)-3-phenyl-propionic acid methyl ester Formula: C25H21IN2O4 MolecularWeight: 540.34971

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C25H21IN2O4/c1-32-25(31)21(14-16-8-4-2-5-9-16)28-22(17-10-6-3-7-11-17)23(29)27-20-13-12-18(26)15-19(20)24(28)30/h2-13,15,21-22H,14H2,1H3,(H,27,29)/t21-,22?/m1/s1