[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24BrNO5 MolecularWeight: 414.29086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)NC2CCCC2)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O[C@H](C)C(=O)NC2CCCC2)Br)OC

InChI

InChI=1S/C18H24BrNO5/c1-4-24-15-10-12(9-14(19)16(15)23-3)18(22)25-11(2)17(21)20-13-7-5-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,20,21)/t11-/m1/s1