[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-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] 3,5-dimethylbenzoate Traditional Name: 3,5-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(=C1)C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-15-11-16(2)13-19(12-15)21(24)25-14-20(23)22-17(3)9-10-18-7-5-4-6-8-18/h4-8,11-13,17H,9-10,14H2,1-3H3,(H,22,23)/t17-/m0/s1