methyl 4-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]benzoate

Systemtic Name: methyl 4-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]benzoate Openeye Name: methyl 4-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]benzoate CAS Name: 4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoate Traditional Name: 4-[(4-hydroxy-3,5-dimethyl-benzyl)amino]benzoic acid methyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H19NO3/c1-11-8-13(9-12(2)16(11)19)10-18-15-6-4-14(5-7-15)17(20)21-3/h4-9,18-19H,10H2,1-3H3