[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22INO4 MolecularWeight: 491.31885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H22INO4/c1-14-11-18(23)7-8-19(14)24-21(26)13-28-22(27)10-9-20(25)17-6-5-15-3-2-4-16(15)12-17/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,24,26)