4-[[(2-phenylmethoxynaphthalen-1-yl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2-phenylmethoxynaphthalen-1-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-benzyloxy-1-naphthyl)methylammonio]methyl]benzoate CAS Name: 4-[[(2-phenylmethoxy-1-naphthalenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2-phenylmethoxynaphthalen-1-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-benzoxy-1-naphthyl)methylammonio]methyl]benzoate Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO3/c28-26(29)22-12-10-19(11-13-22)16-27-17-24-23-9-5-4-8-21(23)14-15-25(24)30-18-20-6-2-1-3-7-20/h1-15,27H,16-18H2,(H,28,29)