2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)octanoate

Systemtic Name: 2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)octanoate Openeye Name: 2-[[2-[(dimethylammonio)methyl]phenyl]methyl]-2-(6-methoxy-2-naphthyl)octanoate CAS Name: 2-[[2-[(dimethylammonio)methyl]phenyl]methyl]-2-(6-methoxy-2-naphthalenyl)octanoate IUPAC Name: 2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)octanoate Traditional Name: 2-[2-[(dimethylammonio)methyl]benzyl]-2-(6-methoxy-2-naphthyl)caprylate Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CC=CC=C1C[NH+](C)C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCCCCCC(CC1=CC=CC=C1C[NH+](C)C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C29H37NO3/c1-5-6-7-10-17-29(28(31)32,20-24-11-8-9-12-25(24)21-30(2)3)26-15-13-23-19-27(33-4)16-14-22(23)18-26/h8-9,11-16,18-19H,5-7,10,17,20-21H2,1-4H3,(H,31,32)