2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methoxyphenol IUPAC Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazino]methyl]-6-methoxy-phenol Formula: C21H34N2O3 MolecularWeight: 362.50626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CN2CCN(C(C2)CCO)CC3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1O)CN2CCN([C@H](C2)CCO)CC3CCCCC3

InChI

InChI=1S/C21H34N2O3/c1-26-20-9-5-8-18(21(20)25)15-22-11-12-23(19(16-22)10-13-24)14-17-6-3-2-4-7-17/h5,8-9,17,19,24-25H,2-4,6-7,10-16H2,1H3/t19-/m0/s1