[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22INO5 MolecularWeight: 483.29685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC(=C(C=C2)OC(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC(=C(C=C2)OC(C)C)OC

InChI

InChI=1S/C20H22INO5/c1-12(2)27-17-8-5-14(10-18(17)25-4)20(24)26-11-19(23)22-16-7-6-15(21)9-13(16)3/h5-10,12H,11H2,1-4H3,(H,22,23)