[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 3-(dimethylamino)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 3-(dimethylamino)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-5-17(18-10-7-6-8-11-18)15-23-21(25)16(2)27-22(26)19-12-9-13-20(14-19)24(3)4/h6-14,16-17H,5,15H2,1-4H3,(H,23,25)/t16-,17+/m0/s1