[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butylbenzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butylbenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H25NO3/c1-22(2,3)17-11-9-16(10-12-17)21(25)26-19(15-7-5-4-6-8-15)20(24)23-18-13-14-18/h4-12,18-19H,13-14H2,1-3H3,(H,23,24)/t19-/m1/s1