6-[(4-azanyl-3-propan-2-yl-phenyl)-hexyl-amino]hexane-1,2,3,4,5-pentol

Systemtic Name: 6-[(4-azanyl-3-propan-2-yl-phenyl)-hexyl-amino]hexane-1,2,3,4,5-pentol Openeye Name: 6-(4-amino-N-hexyl-3-isopropyl-anilino)hexane-1,2,3,4,5-pentol CAS Name: 6-(4-amino-N-hexyl-3-propan-2-ylanilino)hexane-1,2,3,4,5-pentol IUPAC Name: 6-(4-amino-N-hexyl-3-propan-2-ylanilino)hexane-1,2,3,4,5-pentol Traditional Name: 6-(4-amino-N-hexyl-3-isopropyl-anilino)hexane-1,2,3,4,5-pentol Formula: C21H38N2O5 MolecularWeight: 398.53682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC(C(C(C(CO)O)O)O)O)C1=CC(=C(C=C1)N)C(C)C

Isomeric SMILES

CCCCCCN(CC(C(C(C(CO)O)O)O)O)C1=CC(=C(C=C1)N)C(C)C

InChI

InChI=1S/C21H38N2O5/c1-4-5-6-7-10-23(12-18(25)20(27)21(28)19(26)13-24)15-8-9-17(22)16(11-15)14(2)3/h8-9,11,14,18-21,24-28H,4-7,10,12-13,22H2,1-3H3