[(2R)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-methylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-methylbenzoate Openeye Name: [(1R)-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R)-2-keto-1-methyl-2-[[(1R)-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=C(C=C1)C(=O)OC(C)C(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-15-9-13-19(14-10-15)21(24)25-17(3)20(23)22-16(2)11-12-18-7-5-4-6-8-18/h4-10,13-14,16-17H,11-12H2,1-3H3,(H,22,23)/t16-,17-/m1/s1