1-[4-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-3-[2-(1-cyclohexenyl)ethylamino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CNCCC2=CCCCC2)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](CNCCC2=CCCCC2)O)OC

InChI

InChI=1S/C20H29NO4/c1-15(22)17-8-9-19(20(12-17)24-2)25-14-18(23)13-21-11-10-16-6-4-3-5-7-16/h6,8-9,12,18,21,23H,3-5,7,10-11,13-14H2,1-2H3/t18-/m0/s1