methyl 2-[5-benzamido-2-(2-bromanylbutanoylamino)-4-oxidanyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[5-benzamido-2-(2-bromanylbutanoylamino)-4-oxidanyl-phenoxy]ethanoate Openeye Name: methyl 2-[5-benzamido-2-(2-bromobutanoylamino)-4-hydroxy-phenoxy]acetate CAS Name: 2-[5-benzamido-2-[(2-bromo-1-oxobutyl)amino]-4-hydroxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-benzamido-2-(2-bromobutanoylamino)-4-hydroxyphenoxy]acetate Traditional Name: 2-[5-benzamido-2-(2-bromobutanoylamino)-4-hydroxy-phenoxy]acetic acid methyl ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)O)NC(=O)C2=CC=CC=C2)OCC(=O)OC)Br

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)O)NC(=O)C2=CC=CC=C2)OCC(=O)OC)Br

InChI

InChI=1S/C20H21BrN2O6/c1-3-13(21)20(27)23-15-9-16(24)14(10-17(15)29-11-18(25)28-2)22-19(26)12-7-5-4-6-8-12/h4-10,13,24H,3,11H2,1-2H3,(H,22,26)(H,23,27)