[(3S)-3-acetamido-4,4-dimethyl-pentyl] benzoate

Systemtic Name: [(3S)-3-acetamido-4,4-dimethyl-pentyl] benzoate Openeye Name: [(3S)-3-acetamido-4,4-dimethyl-pentyl] benzoate CAS Name: benzoic acid [(3S)-3-acetamido-4,4-dimethylpentyl] ester IUPAC Name: [(3S)-3-acetamido-4,4-dimethylpentyl] benzoate Traditional Name: benzoic acid [(3S)-3-acetamido-4,4-dimethyl-pentyl] ester Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCOC(=O)C1=CC=CC=C1)C(C)(C)C

Isomeric SMILES

CC(=O)N[C@@H](CCOC(=O)C1=CC=CC=C1)C(C)(C)C

InChI

InChI=1S/C16H23NO3/c1-12(18)17-14(16(2,3)4)10-11-20-15(19)13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3,(H,17,18)/t14-/m0/s1