ethyl 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-oxidanyl-propyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-oxidanyl-propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]piperazin-1-yl]benzoate CAS Name: 2-[4-[1-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]piperazino]benzoic acid ethyl ester Formula: C27H38N2O4 MolecularWeight: 454.60162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)C(C3=C(C=C(C=C3)OC)C(C)(C)C)C(C)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)C(C3=C(C=C(C=C3)OC)C(C)(C)C)C(C)O

InChI

InChI=1S/C27H38N2O4/c1-7-33-26(31)22-10-8-9-11-24(22)28-14-16-29(17-15-28)25(19(2)30)21-13-12-20(32-6)18-23(21)27(3,4)5/h8-13,18-19,25,30H,7,14-17H2,1-6H3