methyl 4-[(2R)-3-(azepan-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2R)-3-(azepan-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2R)-3-(azepan-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-(1-azepanyl)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-3-(azepan-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-(azepan-1-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCCCCC2)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CCCCCC2)O

InChI

InChI=1S/C17H25NO4/c1-21-17(20)14-6-8-16(9-7-14)22-13-15(19)12-18-10-4-2-3-5-11-18/h6-9,15,19H,2-5,10-13H2,1H3/t15-/m1/s1