[(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1R)-2-[benzyl(tert-butyl)amino]-1-methyl-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1R)-2-[benzyl(tert-butyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C)C(=O)N(CC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)O[C@H](C)C(=O)N(CC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C22H28N2O3/c1-15-10-9-13-18(19(15)23)21(26)27-16(2)20(25)24(22(3,4)5)14-17-11-7-6-8-12-17/h6-13,16H,14,23H2,1-5H3/t16-/m1/s1