4-[5-[4-(diphenylmethyl)piperazin-1-yl]pentoxy]-2,3,6-trimethyl-phenol

Systemtic Name: 4-[5-[4-(diphenylmethyl)piperazin-1-yl]pentoxy]-2,3,6-trimethyl-phenol Openeye Name: 4-[5-(4-benzhydrylpiperazin-1-yl)pentoxy]-2,3,6-trimethyl-phenol CAS Name: 4-[5-[4-(diphenylmethyl)-1-piperazinyl]pentoxy]-2,3,6-trimethylphenol IUPAC Name: 4-[5-(4-benzhydrylpiperazin-1-yl)pentoxy]-2,3,6-trimethylphenol Traditional Name: 4-[5-(4-benzhydrylpiperazino)pentoxy]-2,3,6-trimethyl-phenol Formula: C31H40N2O2 MolecularWeight: 472.6615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)C)C)OCCCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C(=C1O)C)C)OCCCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H40N2O2/c1-24-23-29(25(2)26(3)31(24)34)35-22-12-6-11-17-32-18-20-33(21-19-32)30(27-13-7-4-8-14-27)28-15-9-5-10-16-28/h4-5,7-10,13-16,23,30,34H,6,11-12,17-22H2,1-3H3