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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[3-[methyl(phenyl)azaniumyl]phenyl]methyl]heptanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[3-[methyl(phenyl)ammonio]phenyl]methyl]heptanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[3-[methyl(phenyl)ammonio]phenyl]methyl]heptanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[3-[methyl(phenyl)azaniumyl]phenyl]methyl]heptanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[3-[methyl(phenyl)ammonio]benzyl]enanthate Formula: C32H35NO3 MolecularWeight: 481.6252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1=CC(=CC=C1)[NH+](C)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC1=CC(=CC=C1)[NH+](C)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C32H35NO3/c1-4-5-9-19-32(31(34)35,27-17-15-26-22-30(36-3)18-16-25(26)21-27)23-24-11-10-14-29(20-24)33(2)28-12-7-6-8-13-28/h6-8,10-18,20-22H,4-5,9,19,23H2,1-3H3,(H,34,35)