methyl 3-[[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-dimethyl-anilino]-3-oxo-propanoate CAS Name: 3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylanilino]-3-oxopropanoate Traditional Name: 3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-dimethyl-anilino]-3-keto-propionic acid methyl ester Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)Br)C)NC(=O)CC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)Br)C)NC(=O)CC(=O)OC

InChI

InChI=1S/C18H18BrNO5/c1-10-6-12(20-16(22)9-17(23)24-3)7-11(2)18(10)25-13-4-5-15(21)14(19)8-13/h4-8,21H,9H2,1-3H3,(H,20,22)