4-[[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-benzoxy-3-chloro-5-ethoxy-benzyl)ammonio]methyl]benzoate Formula: C24H24ClNO4 MolecularWeight: 425.90466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C24H24ClNO4/c1-2-29-22-13-19(15-26-14-17-8-10-20(11-9-17)24(27)28)12-21(25)23(22)30-16-18-6-4-3-5-7-18/h3-13,26H,2,14-16H2,1H3,(H,27,28)