4-[[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[2-(p-tolylmethoxy)-1-naphthyl]methylammonio]methyl]benzoate CAS Name: 4-[[[2-[(4-methylphenyl)methoxy]-1-naphthalenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[2-(4-methylbenzyl)oxy-1-naphthyl]methylammonio]methyl]benzoate Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)C[NH2+]CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)C[NH2+]CC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C27H25NO3/c1-19-6-8-21(9-7-19)18-31-26-15-14-22-4-2-3-5-24(22)25(26)17-28-16-20-10-12-23(13-11-20)27(29)30/h2-15,28H,16-18H2,1H3,(H,29,30)