[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCCC2=CC=CC=C2)OC

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)OCC(C)C)OC

InChI

InChI=1S/C23H29NO5/c1-16(2)15-28-20-11-10-19(14-21(20)27-4)23(26)29-17(3)22(25)24-13-12-18-8-6-5-7-9-18/h5-11,14,16-17H,12-13,15H2,1-4H3,(H,24,25)/t17-/m1/s1