2-[4-[(E)-5-[(2-oxidanyl-3-phenoxy-propyl)amino]pent-2-en-3-yl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[(E)-5-[(2-oxidanyl-3-phenoxy-propyl)amino]pent-2-en-3-yl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[(E)-1-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]prop-1-enyl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(E)-5-[(2-hydroxy-3-phenoxypropyl)amino]pent-2-en-3-yl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[(E)-5-[(2-hydroxy-3-phenoxypropyl)amino]pent-2-en-3-yl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[(E)-1-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]prop-1-enyl]phenoxy]-1-piperidino-ethanone Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CCNCC(COC1=CC=CC=C1)O)C2=CC=C(C=C2)OCC(=O)N3CCCCC3

Isomeric SMILES

C/C=C(\CCNCC(COC1=CC=CC=C1)O)/C2=CC=C(C=C2)OCC(=O)N3CCCCC3

InChI

InChI=1S/C27H36N2O4/c1-2-22(15-16-28-19-24(30)20-32-25-9-5-3-6-10-25)23-11-13-26(14-12-23)33-21-27(31)29-17-7-4-8-18-29/h2-3,5-6,9-14,24,28,30H,4,7-8,15-21H2,1H3/b22-2+