[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-chloranyl-5-ethoxy-benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-chloranyl-5-ethoxy-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-butoxy-3-chloro-5-ethoxy-benzoate CAS Name: 4-butoxy-3-chloro-5-ethoxybenzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-ethoxybenzoate Traditional Name: 4-butoxy-3-chloro-5-ethoxy-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H26ClNO5 MolecularWeight: 383.86644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2CC2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C)C(=O)NC2CC2)OCC

InChI

InChI=1S/C19H26ClNO5/c1-4-6-9-25-17-15(20)10-13(11-16(17)24-5-2)19(23)26-12(3)18(22)21-14-7-8-14/h10-12,14H,4-9H2,1-3H3,(H,21,22)/t12-/m1/s1