dimethyl 2-[[2-[[(2-iodanylphenyl)carbonyl-propa-1,2-dienyl-amino]methyl]phenyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[2-[[(2-iodanylphenyl)carbonyl-propa-1,2-dienyl-amino]methyl]phenyl]methyl]propanedioate Openeye Name: dimethyl 2-[[2-[[(2-iodobenzoyl)-propa-1,2-dienyl-amino]methyl]phenyl]methyl]propanedioate CAS Name: 2-[[2-[[[(2-iodophenyl)-oxomethyl]-propa-1,2-dienylamino]methyl]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[[(2-iodobenzoyl)-propa-1,2-dienylamino]methyl]phenyl]methyl]propanedioate Traditional Name: 2-[2-[[(2-iodobenzoyl)-propa-1,2-dienyl-amino]methyl]benzyl]malonic acid dimethyl ester Formula: C23H22INO5 MolecularWeight: 519.32895

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1CN(C=C=C)C(=O)C2=CC=CC=C2I)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1CN(C=C=C)C(=O)C2=CC=CC=C2I)C(=O)OC

InChI

InChI=1S/C23H22INO5/c1-4-13-25(21(26)18-11-7-8-12-20(18)24)15-17-10-6-5-9-16(17)14-19(22(27)29-2)23(28)30-3/h5-13,19H,1,14-15H2,2-3H3