2-[[3-[ethyl(methyl)azaniumyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)heptanoate

Systemtic Name: 2-[[3-[ethyl(methyl)azaniumyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)heptanoate Openeye Name: 2-[[3-[ethyl(methyl)ammonio]phenyl]methyl]-2-(6-methoxy-2-naphthyl)heptanoate CAS Name: 2-[[3-[ethyl(methyl)ammonio]phenyl]methyl]-2-(6-methoxy-2-naphthalenyl)heptanoate IUPAC Name: 2-[[3-[ethyl(methyl)azaniumyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)heptanoate Traditional Name: 2-[3-[ethyl(methyl)ammonio]benzyl]-2-(6-methoxy-2-naphthyl)enanthate Formula: C28H35NO3 MolecularWeight: 433.5824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO3/c1-5-7-8-16-28(27(30)31,20-21-10-9-11-25(17-21)29(3)6-2)24-14-12-23-19-26(32-4)15-13-22(23)18-24/h9-15,17-19H,5-8,16,20H2,1-4H3,(H,30,31)