[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2,3-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2,3-dimethylbenzoate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)N[C@@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3/c1-15-8-7-11-19(17(15)3)21(24)25-14-20(23)22-16(2)12-13-18-9-5-4-6-10-18/h4-11,16H,12-14H2,1-3H3,(H,22,23)/t16-/m0/s1