1-[3-methoxy-4-[(2S)-2-oxidanyl-3-[(4-oxidanylcyclohexyl)amino]propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[(2S)-2-oxidanyl-3-[(4-oxidanylcyclohexyl)amino]propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-[(4-hydroxycyclohexyl)amino]propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-[(4-hydroxycyclohexyl)amino]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-[(4-hydroxycyclohexyl)amino]propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-[(4-hydroxycyclohexyl)amino]propoxy]-3-methoxy-phenyl]ethanone Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CNC2CCC(CC2)O)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](CNC2CCC(CC2)O)O)OC

InChI

InChI=1S/C18H27NO5/c1-12(20)13-3-8-17(18(9-13)23-2)24-11-16(22)10-19-14-4-6-15(21)7-5-14/h3,8-9,14-16,19,21-22H,4-7,10-11H2,1-2H3/t14?,15?,16-/m0/s1