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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrNO5/c1-5-6-22-15-12(17)7-11(8-13(15)21-4)16(20)23-9-14(19)18-10(2)3/h7-8,10H,5-6,9H2,1-4H3,(H,18,19)