3-[5-[3-(azepan-1-yl)propoxy]-4-methoxy-2-(3-oxidanylpropyl)phenoxy]butan-2-one

Systemtic Name: 3-[5-[3-(azepan-1-yl)propoxy]-4-methoxy-2-(3-oxidanylpropyl)phenoxy]butan-2-one Openeye Name: 3-[5-[3-(azepan-1-yl)propoxy]-2-(3-hydroxypropyl)-4-methoxy-phenoxy]butan-2-one CAS Name: 3-[5-[3-(1-azepanyl)propoxy]-2-(3-hydroxypropyl)-4-methoxyphenoxy]-2-butanone IUPAC Name: 3-[5-[3-(azepan-1-yl)propoxy]-2-(3-hydroxypropyl)-4-methoxyphenoxy]butan-2-one Traditional Name: 3-[5-[3-(azepan-1-yl)propoxy]-2-(3-hydroxypropyl)-4-methoxy-phenoxy]butan-2-one Formula: C23H37NO5 MolecularWeight: 407.54358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCCCCC2

Isomeric SMILES

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCCCCC2

InChI

InChI=1S/C23H37NO5/c1-18(26)19(2)29-21-17-23(22(27-3)16-20(21)10-8-14-25)28-15-9-13-24-11-6-4-5-7-12-24/h16-17,19,25H,4-15H2,1-3H3