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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2CC2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2CC2)OC

InChI

InChI=1S/C16H20BrNO5/c1-3-6-22-15-12(17)7-10(8-13(15)21-2)16(20)23-9-14(19)18-11-4-5-11/h7-8,11H,3-6,9H2,1-2H3,(H,18,19)