ethyl 4-[1-azanyl-4-(3,3-dimethylpiperidin-1-yl)-1-oxidanylidene-3-phenyl-hexan-2-yl]benzoate

Systemtic Name: ethyl 4-[1-azanyl-4-(3,3-dimethylpiperidin-1-yl)-1-oxidanylidene-3-phenyl-hexan-2-yl]benzoate Openeye Name: ethyl 4-[1-carbamoyl-3-(3,3-dimethyl-1-piperidyl)-2-phenyl-pentyl]benzoate CAS Name: 4-[1-amino-4-(3,3-dimethyl-1-piperidinyl)-1-oxo-3-phenylhexan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-4-(3,3-dimethylpiperidin-1-yl)-1-oxo-3-phenylhexan-2-yl]benzoate Traditional Name: 4-[1-carbamoyl-3-(3,3-dimethylpiperidino)-2-phenyl-pentyl]benzoic acid ethyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)C(C2=CC=C(C=C2)C(=O)OCC)C(=O)N)N3CCCC(C3)(C)C

Isomeric SMILES

CCC(C(C1=CC=CC=C1)C(C2=CC=C(C=C2)C(=O)OCC)C(=O)N)N3CCCC(C3)(C)C

InChI

InChI=1S/C28H38N2O3/c1-5-23(30-18-10-17-28(3,4)19-30)24(20-11-8-7-9-12-20)25(26(29)31)21-13-15-22(16-14-21)27(32)33-6-2/h7-9,11-16,23-25H,5-6,10,17-19H2,1-4H3,(H2,29,31)