tert-butyl 4-[2-methyl-3-oxidanylidene-3-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzoate

Systemtic Name: tert-butyl 4-[2-methyl-3-oxidanylidene-3-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzoate Openeye Name: tert-butyl 4-[2-methyl-3-oxo-3-[2-(5-phenyl-1H-imidazol-2-yl)-1-piperidyl]propyl]benzoate CAS Name: 4-[2-methyl-3-oxo-3-[2-(5-phenyl-1H-imidazol-2-yl)-1-piperidinyl]propyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-methyl-3-oxo-3-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzoate Traditional Name: 4-[3-keto-2-methyl-3-[2-(5-phenyl-1H-imidazol-2-yl)piperidino]propyl]benzoic acid tert-butyl ester Formula: C29H35N3O3 MolecularWeight: 473.6065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(=O)N2CCCCC2C3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(=O)N2CCCCC2C3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3/c1-20(18-21-13-15-23(16-14-21)28(34)35-29(2,3)4)27(33)32-17-9-8-12-25(32)26-30-19-24(31-26)22-10-6-5-7-11-22/h5-7,10-11,13-16,19-20,25H,8-9,12,17-18H2,1-4H3,(H,30,31)