(E)-3-[4-[4-(2-oxidanylbutylamino)piperidin-1-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[4-(2-oxidanylbutylamino)piperidin-1-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[4-(2-hydroxybutylamino)-1-piperidyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[4-(2-hydroxybutylamino)-1-piperidinyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[4-(2-hydroxybutylamino)piperidin-1-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[4-(2-hydroxybutylamino)piperidino]phenyl]acrylic acid Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1CCN(CC1)C2=CC=C(C=C2)C=CC(=O)O)O

Isomeric SMILES

CCC(CNC1CCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)O)O

InChI

InChI=1S/C18H26N2O3/c1-2-17(21)13-19-15-9-11-20(12-10-15)16-6-3-14(4-7-16)5-8-18(22)23/h3-8,15,17,19,21H,2,9-13H2,1H3,(H,22,23)/b8-5+