[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-propan-2-yloxybenzoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-propan-2-yloxybenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C21H25NO4/c1-14(2)25-19-11-9-18(10-12-19)21(24)26-16(4)20(23)22-13-17-7-5-15(3)6-8-17/h5-12,14,16H,13H2,1-4H3,(H,22,23)/t16-/m0/s1