3-[4-(diphenylmethyl)oxybutyl]-N-ethyl-2,2,4,6,7-pentamethyl-3-piperazin-1-yl-1-benzofuran-5-amine

Systemtic Name: 3-[4-(diphenylmethyl)oxybutyl]-N-ethyl-2,2,4,6,7-pentamethyl-3-piperazin-1-yl-1-benzofuran-5-amine Openeye Name: 3-(4-benzhydryloxybutyl)-N-ethyl-2,2,4,6,7-pentamethyl-3-piperazin-1-yl-benzofuran-5-amine CAS Name: 3-[4-(diphenylmethyl)oxybutyl]-N-ethyl-2,2,4,6,7-pentamethyl-3-(1-piperazinyl)-5-benzofuranamine IUPAC Name: 3-(4-benzhydryloxybutyl)-N-ethyl-2,2,4,6,7-pentamethyl-3-piperazin-1-yl-1-benzofuran-5-amine Traditional Name: [3-(4-benzhydryloxybutyl)-2,2,4,6,7-pentamethyl-3-piperazino-coumaran-5-yl]-ethyl-amine Formula: C36H49N3O2 MolecularWeight: 555.79316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=C2C(=C1C)C(C(O2)(C)C)(CCCCOC(C3=CC=CC=C3)C4=CC=CC=C4)N5CCNCC5)C)C

Isomeric SMILES

CCNC1=C(C(=C2C(=C1C)C(C(O2)(C)C)(CCCCOC(C3=CC=CC=C3)C4=CC=CC=C4)N5CCNCC5)C)C

InChI

InChI=1S/C36H49N3O2/c1-7-38-32-26(2)27(3)33-31(28(32)4)36(35(5,6)41-33,39-23-21-37-22-24-39)20-14-15-25-40-34(29-16-10-8-11-17-29)30-18-12-9-13-19-30/h8-13,16-19,34,37-38H,7,14-15,20-25H2,1-6H3