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

Systemtic Name: acetamido 5-[3-(azepan-2-ylmethyl)phenoxy]pentanoate Openeye Name: acetamido 5-[3-(azepan-2-ylmethyl)phenoxy]pentanoate CAS Name: 5-[3-(2-azepanylmethyl)phenoxy]pentanoic acid acetamido ester IUPAC Name: acetamido 5-[3-(azepan-2-ylmethyl)phenoxy]pentanoate Traditional Name: 5-[3-(azepan-2-ylmethyl)phenoxy]valeric acid acetamido ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NOC(=O)CCCCOC1=CC=CC(=C1)CC2CCCCCN2

Isomeric SMILES

CC(=O)NOC(=O)CCCCOC1=CC=CC(=C1)CC2CCCCCN2

InChI

InChI=1S/C20H30N2O4/c1-16(23)22-26-20(24)11-4-6-13-25-19-10-7-8-17(15-19)14-18-9-3-2-5-12-21-18/h7-8,10,15,18,21H,2-6,9,11-14H2,1H3,(H,22,23)