[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [(1S)-2-keto-1-methyl-2-[[(2R)-2-phenylbutyl]amino]ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=C(C=C(C=C1)OC)O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-4-15(16-8-6-5-7-9-16)13-22-20(24)14(2)27-21(25)18-11-10-17(26-3)12-19(18)23/h5-12,14-15,23H,4,13H2,1-3H3,(H,22,24)/t14-,15-/m0/s1