(2S)-4-(3,4-dimethylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-2-ol

Systemtic Name: (2S)-4-(3,4-dimethylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-2-ol Openeye Name: (2S)-4-(3,4-dimethylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-2-ol CAS Name: (2S)-4-(3,4-dimethylphenoxy)-1-[4-(2-hydroxyethyl)-1-piperazinyl]-2-butanol IUPAC Name: (2S)-4-(3,4-dimethylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-2-ol Traditional Name: (2S)-4-(3,4-dimethylphenoxy)-1-[4-(2-hydroxyethyl)piperazino]butan-2-ol Formula: C18H30N2O3 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC(CN2CCN(CC2)CCO)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC[C@@H](CN2CCN(CC2)CCO)O)C

InChI

InChI=1S/C18H30N2O3/c1-15-3-4-18(13-16(15)2)23-12-5-17(22)14-20-8-6-19(7-9-20)10-11-21/h3-4,13,17,21-22H,5-12,14H2,1-2H3/t17-/m0/s1