methyl 5-[2-[8-(butylamino)-8-oxidanylidene-octyl]-6-(3-methoxypropoxy)phenoxy]pentanoate

Systemtic Name: methyl 5-[2-[8-(butylamino)-8-oxidanylidene-octyl]-6-(3-methoxypropoxy)phenoxy]pentanoate Openeye Name: methyl 5-[2-[8-(butylamino)-8-oxo-octyl]-6-(3-methoxypropoxy)phenoxy]pentanoate CAS Name: 5-[2-[8-(butylamino)-8-oxooctyl]-6-(3-methoxypropoxy)phenoxy]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-[8-(butylamino)-8-oxooctyl]-6-(3-methoxypropoxy)phenoxy]pentanoate Traditional Name: 5-[2-[8-(butylamino)-8-keto-octyl]-6-(3-methoxypropoxy)phenoxy]valeric acid methyl ester Formula: C28H47NO6 MolecularWeight: 493.67588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCCCC1=C(C(=CC=C1)OCCCOC)OCCCCC(=O)OC

Isomeric SMILES

CCCCNC(=O)CCCCCCCC1=C(C(=CC=C1)OCCCOC)OCCCCC(=O)OC

InChI

InChI=1S/C28H47NO6/c1-4-5-20-29-26(30)18-10-8-6-7-9-15-24-16-13-17-25(34-23-14-21-32-2)28(24)35-22-12-11-19-27(31)33-3/h13,16-17H,4-12,14-15,18-23H2,1-3H3,(H,29,30)