4-[[(3,5-dimethylphenyl)-methyl-amino]methyl]benzoate

Systemtic Name: 4-[[(3,5-dimethylphenyl)-methyl-amino]methyl]benzoate Openeye Name: 4-[(N,3,5-trimethylanilino)methyl]benzoate CAS Name: 4-[(N,3,5-trimethylanilino)methyl]benzoate IUPAC Name: 4-[(N,3,5-trimethylanilino)methyl]benzoate Traditional Name: 4-[(N,3,5-trimethylanilino)methyl]benzoate Formula: C17H18NO2- MolecularWeight: 268.33032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C)CC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C)CC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C17H19NO2/c1-12-8-13(2)10-16(9-12)18(3)11-14-4-6-15(7-5-14)17(19)20/h4-10H,11H2,1-3H3,(H,19,20)/p-1