[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H33NO4/c1-18(24(28)27-22-7-5-6-8-22)31-25(29)20-11-9-19(10-12-20)17-30-23-15-13-21(14-16-23)26(2,3)4/h9-16,18,22H,5-8,17H2,1-4H3,(H,27,28)/t18-/m1/s1