[2-[3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-oxidanyl-propoxy]phenyl] ethanoate

Systemtic Name: [2-[3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-oxidanyl-propoxy]phenyl] ethanoate Openeye Name: [2-[3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-hydroxy-propoxy]phenyl] acetate CAS Name: acetic acid [2-[3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-hydroxypropoxy]phenyl] ester IUPAC Name: [2-[3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-hydroxypropoxy]phenyl] acetate Traditional Name: acetic acid [2-[3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-hydroxy-propoxy]phenyl] ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1OCC(CC2CCCCC(=N2)N)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1OCC(CC2CCCCC(=N2)N)O

InChI

InChI=1S/C17H24N2O4/c1-12(20)23-16-8-4-3-7-15(16)22-11-14(21)10-13-6-2-5-9-17(18)19-13/h3-4,7-8,13-14,21H,2,5-6,9-11H2,1H3,(H2,18,19)