2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]butan-1-ol hydrochloride

Systemtic Name: 2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]butan-1-ol hydrochloride Openeye Name: 2-[(3,4-dibenzyloxyphenyl)methylamino]butan-1-ol hydrochloride CAS Name: 2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]-1-butanol hydrochloride IUPAC Name: 2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]butan-1-ol hydrochloride Traditional Name: 2-[(3,4-dibenzoxybenzyl)amino]butan-1-ol hydrochloride Formula: C25H30ClNO3 MolecularWeight: 427.9636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3.Cl

Isomeric SMILES

CCC(CO)NCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C25H29NO3.ClH/c1-2-23(17-27)26-16-22-13-14-24(28-18-20-9-5-3-6-10-20)25(15-22)29-19-21-11-7-4-8-12-21;/h3-15,23,26-27H,2,16-19H2,1H3;1H