[2-[3-(1-acetyloxy-7-methoxy-azepan-2-yl)-2-oxidanyl-propoxy]phenyl] ethanoate

Systemtic Name: [2-[3-(1-acetyloxy-7-methoxy-azepan-2-yl)-2-oxidanyl-propoxy]phenyl] ethanoate Openeye Name: [2-[3-(1-acetoxy-7-methoxy-azepan-2-yl)-2-hydroxy-propoxy]phenyl] acetate CAS Name: acetic acid [2-[3-(1-acetyloxy-7-methoxy-2-azepanyl)-2-hydroxypropoxy]phenyl] ester IUPAC Name: [2-[3-(1-acetyloxy-7-methoxyazepan-2-yl)-2-hydroxypropoxy]phenyl] acetate Traditional Name: acetic acid [2-[3-(1-acetoxy-7-methoxy-azepan-2-yl)-2-hydroxy-propoxy]phenyl] ester Formula: C20H29NO7 MolecularWeight: 395.44676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1OCC(CC2CCCCC(N2OC(=O)C)OC)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1OCC(CC2CCCCC(N2OC(=O)C)OC)O

InChI

InChI=1S/C20H29NO7/c1-14(22)27-19-10-6-5-9-18(19)26-13-17(24)12-16-8-4-7-11-20(25-3)21(16)28-15(2)23/h5-6,9-10,16-17,20,24H,4,7-8,11-13H2,1-3H3