[2-oxidanylidene-2-(pentylamino)ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC(=C(C(=C1)OC)Br)OC

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC(=C(C(=C1)OC)Br)OC

InChI

InChI=1S/C16H22BrNO5/c1-4-5-6-7-18-14(19)10-23-16(20)11-8-12(21-2)15(17)13(9-11)22-3/h8-9H,4-7,10H2,1-3H3,(H,18,19)