phenethyl 5-[[2,5-bis(oxidanyl)phenyl]methylamino]-2-oxidanyl-benzoate

Systemtic Name: phenethyl 5-[[2,5-bis(oxidanyl)phenyl]methylamino]-2-oxidanyl-benzoate Openeye Name: phenethyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-benzoate CAS Name: 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid phenethyl ester IUPAC Name: phenethyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate Traditional Name: 5-[(2,5-dihydroxybenzyl)amino]-2-hydroxy-benzoic acid phenethyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C2=C(C=CC(=C2)NCC3=C(C=CC(=C3)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C2=C(C=CC(=C2)NCC3=C(C=CC(=C3)O)O)O

InChI

InChI=1S/C22H21NO5/c24-18-7-9-20(25)16(12-18)14-23-17-6-8-21(26)19(13-17)22(27)28-11-10-15-4-2-1-3-5-15/h1-9,12-13,23-26H,10-11,14H2