[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)OCC(C)C)OC

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC(=C(C=C1)OCC(C)C)OC

InChI

InChI=1S/C18H27NO5/c1-6-9-19-17(20)13(4)24-18(21)14-7-8-15(16(10-14)22-5)23-11-12(2)3/h7-8,10,12-13H,6,9,11H2,1-5H3,(H,19,20)/t13-/m0/s1