2-[bis(4-methylpentyl)amino]-1-(1-methyl-7-propan-2-yl-phenanthren-3-yl)ethanol hydrochloride

Systemtic Name: 2-[bis(4-methylpentyl)amino]-1-(1-methyl-7-propan-2-yl-phenanthren-3-yl)ethanol hydrochloride Openeye Name: 2-(diisohexylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)ethanol hydrochloride CAS Name: 2-[bis(4-methylpentyl)amino]-1-(1-methyl-7-propan-2-yl-3-phenanthrenyl)ethanol hydrochloride IUPAC Name: 2-[bis(4-methylpentyl)amino]-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol hydrochloride Traditional Name: 2-(diisohexylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)ethanol hydrochloride Formula: C32H48ClNO MolecularWeight: 498.18262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C(C2=CC(=C1)C(CN(CCCC(C)C)CCCC(C)C)O)C=CC(=C3)C(C)C.Cl

Isomeric SMILES

CC1=C2C=CC3=C(C2=CC(=C1)C(CN(CCCC(C)C)CCCC(C)C)O)C=CC(=C3)C(C)C.Cl

InChI

InChI=1S/C32H47NO.ClH/c1-22(2)10-8-16-33(17-9-11-23(3)4)21-32(34)28-18-25(7)29-14-13-27-19-26(24(5)6)12-15-30(27)31(29)20-28;/h12-15,18-20,22-24,32,34H,8-11,16-17,21H2,1-7H3;1H