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

Systemtic Name: 2-[[2-[ethyl(methyl)azaniumyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)octanoate Openeye Name: 2-[[2-[ethyl(methyl)ammonio]phenyl]methyl]-2-(6-methoxy-2-naphthyl)octanoate CAS Name: 2-[[2-[ethyl(methyl)ammonio]phenyl]methyl]-2-(6-methoxy-2-naphthalenyl)octanoate IUPAC Name: 2-[[2-[ethyl(methyl)azaniumyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)octanoate Traditional Name: 2-[2-[ethyl(methyl)ammonio]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=C1[NH+](C)CC)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCCCCCC(CC1=CC=CC=C1[NH+](C)CC)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C29H37NO3/c1-5-7-8-11-18-29(28(31)32,21-24-12-9-10-13-27(24)30(3)6-2)25-16-14-23-20-26(33-4)17-15-22(23)19-25/h9-10,12-17,19-20H,5-8,11,18,21H2,1-4H3,(H,31,32)