2-butyl-7-[butyl(methyl)azaniumyl]-2-(6-methoxynaphthalen-2-yl)heptanoate

Systemtic Name: 2-butyl-7-[butyl(methyl)azaniumyl]-2-(6-methoxynaphthalen-2-yl)heptanoate Openeye Name: 2-butyl-7-[butyl(methyl)ammonio]-2-(6-methoxy-2-naphthyl)heptanoate CAS Name: 2-butyl-7-[butyl(methyl)ammonio]-2-(6-methoxy-2-naphthalenyl)heptanoate IUPAC Name: 2-butyl-7-[butyl(methyl)azaniumyl]-2-(6-methoxynaphthalen-2-yl)heptanoate Traditional Name: 2-butyl-7-[butyl(methyl)ammonio]-2-(6-methoxy-2-naphthyl)enanthate Formula: C27H41NO3 MolecularWeight: 427.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCC[NH+](C)CCCC)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CCCCC(CCCCC[NH+](C)CCCC)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C27H41NO3/c1-5-7-16-27(26(29)30,17-10-9-11-19-28(3)18-8-6-2)24-14-12-23-21-25(31-4)15-13-22(23)20-24/h12-15,20-21H,5-11,16-19H2,1-4H3,(H,29,30)