2-[bis(3-methylbutyl)amino]-1-phenanthren-3-yl-ethanol hydrochloride

Systemtic Name: 2-[bis(3-methylbutyl)amino]-1-phenanthren-3-yl-ethanol hydrochloride Openeye Name: 2-(diisopentylamino)-1-(3-phenanthryl)ethanol hydrochloride CAS Name: 2-[bis(3-methylbutyl)amino]-1-(3-phenanthrenyl)ethanol hydrochloride IUPAC Name: 2-[bis(3-methylbutyl)amino]-1-phenanthren-3-ylethanol hydrochloride Traditional Name: 2-(diisoamylamino)-1-(3-phenanthryl)ethanol hydrochloride Formula: C26H36ClNO MolecularWeight: 414.02314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(C)C)CC(C1=CC2=C(C=CC3=CC=CC=C32)C=C1)O.Cl

Isomeric SMILES

CC(C)CCN(CCC(C)C)CC(C1=CC2=C(C=CC3=CC=CC=C32)C=C1)O.Cl

InChI

InChI=1S/C26H35NO.ClH/c1-19(2)13-15-27(16-14-20(3)4)18-26(28)23-12-11-22-10-9-21-7-5-6-8-24(21)25(22)17-23;/h5-12,17,19-20,26,28H,13-16,18H2,1-4H3;1H