[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C26H33NO4 MolecularWeight: 423.54452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H33NO4/c1-19-6-5-15-27(16-19)24(28)18-31-25(29)21-9-7-20(8-10-21)17-30-23-13-11-22(12-14-23)26(2,3)4/h7-14,19H,5-6,15-18H2,1-4H3/t19-/m0/s1