[(2R)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [(1R)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [(2R)-1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylanilino)-1-oxopropan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)NC2=CC=CC=C2C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C)OC

InChI

InChI=1S/C21H24BrNO5/c1-5-10-27-19-16(22)11-15(12-18(19)26-4)21(25)28-14(3)20(24)23-17-9-7-6-8-13(17)2/h6-9,11-12,14H,5,10H2,1-4H3,(H,23,24)/t14-/m1/s1