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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])OC

InChI

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