2-[(3-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane

Systemtic Name: 2-[(3-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane Openeye Name: 2-[(3-benzyloxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane CAS Name: 2-[(3-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane IUPAC Name: 2-[(3-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane Traditional Name: 2-(3-benzoxybenzyl)-1,4,7,10,13-pentazacyclopentadecane Formula: C24H37N5O MolecularWeight: 411.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCC(NCCNCCN1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CNCCNCC(NCCNCCN1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H37N5O/c1-2-5-21(6-3-1)20-30-24-8-4-7-22(18-24)17-23-19-28-14-13-26-10-9-25-11-12-27-15-16-29-23/h1-8,18,23,25-29H,9-17,19-20H2