4-[[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]methyl]benzoate Formula: C24H24BrNO4 MolecularWeight: 470.35566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])OC

InChI

InChI=1S/C24H24BrNO4/c1-16-3-5-18(6-4-16)15-30-23-21(25)11-19(12-22(23)29-2)14-26-13-17-7-9-20(10-8-17)24(27)28/h3-12,26H,13-15H2,1-2H3,(H,27,28)