1-(3-methoxyphenyl)-4-(phenylmethyl)-3-[(E)-3-piperazin-1-ylprop-1-enyl]cyclohexan-1-ol

Systemtic Name: 1-(3-methoxyphenyl)-4-(phenylmethyl)-3-[(E)-3-piperazin-1-ylprop-1-enyl]cyclohexan-1-ol Openeye Name: 4-benzyl-1-(3-methoxyphenyl)-3-[(E)-3-piperazin-1-ylprop-1-enyl]cyclohexanol CAS Name: 1-(3-methoxyphenyl)-4-(phenylmethyl)-3-[(E)-3-(1-piperazinyl)prop-1-enyl]-1-cyclohexanol IUPAC Name: 4-benzyl-1-(3-methoxyphenyl)-3-[(E)-3-piperazin-1-ylprop-1-enyl]cyclohexan-1-ol Traditional Name: 4-benzyl-1-(3-methoxyphenyl)-3-[(E)-3-piperazinoprop-1-enyl]cyclohexanol Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(C(C2)C=CCN3CCNCC3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(C(C2)/C=C/CN3CCNCC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C27H36N2O2/c1-31-26-11-5-10-25(20-26)27(30)13-12-23(19-22-7-3-2-4-8-22)24(21-27)9-6-16-29-17-14-28-15-18-29/h2-11,20,23-24,28,30H,12-19,21H2,1H3/b9-6+