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

Systemtic Name: 2-[bis(3-methylbutyl)amino]-1-(1-methyl-7-propan-2-yl-phenanthren-3-yl)ethanol hydrochloride Openeye Name: 2-(diisopentylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)ethanol hydrochloride CAS Name: 2-[bis(3-methylbutyl)amino]-1-(1-methyl-7-propan-2-yl-3-phenanthrenyl)ethanol hydrochloride IUPAC Name: 2-[bis(3-methylbutyl)amino]-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol hydrochloride Traditional Name: 2-(diisoamylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)ethanol hydrochloride Formula: C30H44ClNO MolecularWeight: 470.12946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO.ClH/c1-20(2)12-14-31(15-13-21(3)4)19-30(32)26-16-23(7)27-10-9-25-17-24(22(5)6)8-11-28(25)29(27)18-26;/h8-11,16-18,20-22,30,32H,12-15,19H2,1-7H3;1H