methyl 3-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 3-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2S)-3-[2-(1-cyclohexenyl)ethylamino]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-hydroxypropoxy]benzoate Traditional Name: 3-[(2S)-3-[2-(cyclohexen-1-yl)ethylamino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(CNCCC2=CCCCC2)O

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-23-19(22)16-8-5-9-18(12-16)24-14-17(21)13-20-11-10-15-6-3-2-4-7-15/h5-6,8-9,12,17,20-21H,2-4,7,10-11,13-14H2,1H3/t17-/m0/s1