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

Systemtic Name: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NCC(C)C)OC

InChI

InChI=1S/C17H25NO5/c1-6-22-14-8-7-13(9-15(14)21-5)17(20)23-12(4)16(19)18-10-11(2)3/h7-9,11-12H,6,10H2,1-5H3,(H,18,19)/t12-/m1/s1