methyl 1-[2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-bromo-5-methoxy-4-propoxy-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-bromo-5-methoxy-4-propoxybenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-bromo-5-methoxy-4-propoxy-benzoyl)oxyacetyl]isonipecotic acid methyl ester Formula: C20H26BrNO7 MolecularWeight: 472.32694

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC)OC

InChI

InChI=1S/C20H26BrNO7/c1-4-9-28-18-15(21)10-14(11-16(18)26-2)20(25)29-12-17(23)22-7-5-13(6-8-22)19(24)27-3/h10-11,13H,4-9,12H2,1-3H3