1-[1-[3-[4-[bis(phenylmethyl)amino]butylamino]propyl]piperidin-2-yl]-11-(oxan-2-yloxy)undecan-1-one

Systemtic Name: 1-[1-[3-[4-[bis(phenylmethyl)amino]butylamino]propyl]piperidin-2-yl]-11-(oxan-2-yloxy)undecan-1-one Openeye Name: 1-[1-[3-[4-(dibenzylamino)butylamino]propyl]-2-piperidyl]-11-tetrahydropyran-2-yloxy-undecan-1-one CAS Name: 1-[1-[3-[4-[bis(phenylmethyl)amino]butylamino]propyl]-2-piperidinyl]-11-(2-oxanyloxy)-1-undecanone IUPAC Name: 1-[1-[3-[4-(dibenzylamino)butylamino]propyl]piperidin-2-yl]-11-(oxan-2-yloxy)undecan-1-one Traditional Name: 1-[1-[3-[4-(dibenzylamino)butylamino]propyl]-2-piperidyl]-11-tetrahydropyran-2-yloxy-undecan-1-one Formula: C42H67N3O3 MolecularWeight: 661.99968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)CCCCCCCCCCOC2CCCCO2)CCCNCCCCN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)CCCCCCCCCCOC2CCCCO2)CCCNCCCCN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C42H67N3O3/c46-41(27-13-5-3-1-2-4-6-19-34-47-42-28-15-20-35-48-42)40-26-14-17-32-45(40)33-21-30-43-29-16-18-31-44(36-38-22-9-7-10-23-38)37-39-24-11-8-12-25-39/h7-12,22-25,40,42-43H,1-6,13-21,26-37H2