3-bromanylprop-1-ene; ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate

Systemtic Name: 3-bromanylprop-1-ene; ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate Openeye Name: 3-bromoprop-1-ene; ethyl 4-[2-(1-piperidyl)propanoylamino]benzoate CAS Name: 3-bromo-1-propene; 4-[[1-oxo-2-(1-piperidinyl)propyl]amino]benzoic acid ethyl ester IUPAC Name: 3-bromoprop-1-ene; ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate Traditional Name: 3-bromoprop-1-ene; 4-(2-piperidinopropanoylamino)benzoic acid ethyl ester Formula: C20H29BrN2O3 MolecularWeight: 425.35986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCCCC2.C=CCBr

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCCCC2.C=CCBr

InChI

InChI=1S/C17H24N2O3.C3H5Br/c1-3-22-17(21)14-7-9-15(10-8-14)18-16(20)13(2)19-11-5-4-6-12-19;1-2-3-4/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20);2H,1,3H2