2-[4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-hydroxy-3-methoxy-phenyl)methylamino]phenyl]acetic acid CAS Name: 2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]acetic acid IUPAC Name: 2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]acetic acid Traditional Name: 2-[4-(vanillylamino)phenyl]acetic acid Formula: C16H17NO4 MolecularWeight: 287.31048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)CC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC=C(C=C2)CC(=O)O)O

InChI

InChI=1S/C16H17NO4/c1-21-15-8-12(4-7-14(15)18)10-17-13-5-2-11(3-6-13)9-16(19)20/h2-8,17-18H,9-10H2,1H3,(H,19,20)