(E)-3-[(11E)-11-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propylidene]-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[(11E)-11-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propylidene]-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]propylidene]-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]propylidene]-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxy-piperidino]propylidene]-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]-2-methyl-acrylic acid Formula: C31H31ClN2O4 MolecularWeight: 531.04184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1)OCC3=C(C2=CCCN4CCC(CC4)(C5=CC=C(C=C5)Cl)O)C=CC=N3)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC\2=C(C=C1)OCC3=C(/C2=C\CCN4CCC(CC4)(C5=CC=C(C=C5)Cl)O)C=CC=N3)/C(=O)O

InChI

InChI=1S/C31H31ClN2O4/c1-21(30(35)36)18-22-6-11-29-27(19-22)25(26-4-2-14-33-28(26)20-38-29)5-3-15-34-16-12-31(37,13-17-34)23-7-9-24(32)10-8-23/h2,4-11,14,18-19,37H,3,12-13,15-17,20H2,1H3,(H,35,36)/b21-18+,25-5+