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

Systemtic Name: 4-[[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]methyl]benzoate Formula: C25H27NO4 MolecularWeight: 405.48618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4/c1-3-29-24-14-21(16-26-15-19-8-11-22(12-9-19)25(27)28)10-13-23(24)30-17-20-6-4-18(2)5-7-20/h4-14,26H,3,15-17H2,1-2H3,(H,27,28)