4-[[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-methoxy-2-(p-tolylmethoxy)phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-methoxy-2-(4-methylbenzyl)oxy-benzyl]ammonio]methyl]benzoate Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=CC=C2OC)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=CC=C2OC)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C24H25NO4/c1-17-6-8-19(9-7-17)16-29-23-21(4-3-5-22(23)28-2)15-25-14-18-10-12-20(13-11-18)24(26)27/h3-13,25H,14-16H2,1-2H3,(H,26,27)