(E)-1-(4-butoxyphenyl)-5-[4-(phenylmethyl)piperidin-1-yl]pent-1-en-3-one

Systemtic Name: (E)-1-(4-butoxyphenyl)-5-[4-(phenylmethyl)piperidin-1-yl]pent-1-en-3-one Openeye Name: (E)-5-(4-benzyl-1-piperidyl)-1-(4-butoxyphenyl)pent-1-en-3-one CAS Name: (E)-1-(4-butoxyphenyl)-5-[4-(phenylmethyl)-1-piperidinyl]-1-penten-3-one IUPAC Name: (E)-5-(4-benzylpiperidin-1-yl)-1-(4-butoxyphenyl)pent-1-en-3-one Traditional Name: (E)-5-(4-benzylpiperidino)-1-(4-butoxyphenyl)pent-1-en-3-one Formula: C27H35NO2 MolecularWeight: 405.5723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)CCN2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)CCN2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C27H35NO2/c1-2-3-21-30-27-13-10-23(11-14-27)9-12-26(29)17-20-28-18-15-25(16-19-28)22-24-7-5-4-6-8-24/h4-14,25H,2-3,15-22H2,1H3/b12-9+