methyl 4-[(3-butoxy-4-iodanyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3-butoxy-4-iodanyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(3-butoxy-4-iodo-anilino)-4-oxo-butanoate CAS Name: 4-(3-butoxy-4-iodoanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-butoxy-4-iodoanilino)-4-oxobutanoate Traditional Name: 4-(3-butoxy-4-iodo-anilino)-4-keto-butyric acid methyl ester Formula: C15H20INO4 MolecularWeight: 405.22807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)NC(=O)CCC(=O)OC)I

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)NC(=O)CCC(=O)OC)I

InChI

InChI=1S/C15H20INO4/c1-3-4-9-21-13-10-11(5-6-12(13)16)17-14(18)7-8-15(19)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18)