2-(dioctylamino)-1-(1-methyl-7-propan-2-yl-phenanthren-3-yl)ethanol hydrochloride

Systemtic Name: 2-(dioctylamino)-1-(1-methyl-7-propan-2-yl-phenanthren-3-yl)ethanol hydrochloride Openeye Name: 2-(dioctylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)ethanol hydrochloride CAS Name: 2-(dioctylamino)-1-(1-methyl-7-propan-2-yl-3-phenanthrenyl)ethanol hydrochloride IUPAC Name: 2-(dioctylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol hydrochloride Traditional Name: 2-(dioctylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)ethanol hydrochloride Formula: C36H56ClNO MolecularWeight: 554.28894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CC(C1=CC(=C2C=CC3=C(C2=C1)C=CC(=C3)C(C)C)C)O.Cl

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CC(C1=CC(=C2C=CC3=C(C2=C1)C=CC(=C3)C(C)C)C)O.Cl

InChI

InChI=1S/C36H55NO.ClH/c1-6-8-10-12-14-16-22-37(23-17-15-13-11-9-7-2)27-36(38)32-24-29(5)33-20-19-31-25-30(28(3)4)18-21-34(31)35(33)26-32;/h18-21,24-26,28,36,38H,6-17,22-23,27H2,1-5H3;1H