[(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2,5-dimethylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2,5-dimethylbenzoate Openeye Name: [(1S)-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OC(C)C(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)O[C@@H](C)C(=O)N[C@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO3/c1-15-10-11-16(2)20(14-15)22(25)26-18(4)21(24)23-17(3)12-13-19-8-6-5-7-9-19/h5-11,14,17-18H,12-13H2,1-4H3,(H,23,24)/t17-,18+/m1/s1