acetamido 5-[3-(azocan-2-ylmethyl)phenoxy]pentanoate

Systemtic Name: acetamido 5-[3-(azocan-2-ylmethyl)phenoxy]pentanoate Openeye Name: acetamido 5-[3-(azocan-2-ylmethyl)phenoxy]pentanoate CAS Name: 5-[3-(2-azocanylmethyl)phenoxy]pentanoic acid acetamido ester IUPAC Name: acetamido 5-[3-(azocan-2-ylmethyl)phenoxy]pentanoate Traditional Name: 5-[3-(azocan-2-ylmethyl)phenoxy]valeric acid acetamido ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NOC(=O)CCCCOC1=CC=CC(=C1)CC2CCCCCCN2

Isomeric SMILES

CC(=O)NOC(=O)CCCCOC1=CC=CC(=C1)CC2CCCCCCN2

InChI

InChI=1S/C21H32N2O4/c1-17(24)23-27-21(25)12-5-7-14-26-20-11-8-9-18(16-20)15-19-10-4-2-3-6-13-22-19/h8-9,11,16,19,22H,2-7,10,12-15H2,1H3,(H,23,24)