2-[[(5Z)-5-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridin-7-yl]oxy]ethyl ethanoate

Systemtic Name: 2-[[(5Z)-5-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridin-7-yl]oxy]ethyl ethanoate Openeye Name: 2-[[(5Z)-5-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridin-7-yl]oxy]ethyl acetate CAS Name: acetic acid 2-[[(5Z)-5-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridin-7-yl]oxy]ethyl ester IUPAC Name: 2-[[(5Z)-5-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridin-7-yl]oxy]ethyl acetate Traditional Name: acetic acid 2-[[(5Z)-5-[3-[4-(4-chlorophenyl)-4-hydroxy-piperidino]propylidene]-6H-[1]benzoxepino[2,3-b]pyridin-7-yl]oxy]ethyl ester Formula: C31H33ClN2O5 MolecularWeight: 549.05712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=CC=CC2=C1CC(=CCCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O)C5=C(O2)N=CC=C5

Isomeric SMILES

CC(=O)OCCOC1=CC=CC2=C1C/C(=C/CCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O)/C5=C(O2)N=CC=C5

InChI

InChI=1S/C31H33ClN2O5/c1-22(35)37-19-20-38-28-7-2-8-29-27(28)21-23(26-6-3-15-33-30(26)39-29)5-4-16-34-17-13-31(36,14-18-34)24-9-11-25(32)12-10-24/h2-3,5-12,15,36H,4,13-14,16-21H2,1H3/b23-5-