[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4/c1-24(2,3)18-9-13-20(14-10-18)28-16-15-21(26)29-22(17-7-5-4-6-8-17)23(27)25-19-11-12-19/h4-10,13-14,19,22H,11-12,15-16H2,1-3H3,(H,25,27)/t22-/m1/s1