[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H24BrNO5 MolecularWeight: 402.28016

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCC(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCC(C)C)OC

InChI

InChI=1S/C17H24BrNO5/c1-5-6-23-16-13(18)7-12(8-14(16)22-4)17(21)24-10-15(20)19-9-11(2)3/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20)