phenethyl 6-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]hexanoate

Systemtic Name: phenethyl 6-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]hexanoate Openeye Name: phenethyl 6-[2-(3,4-dihydroxyphenyl)ethylamino]hexanoate CAS Name: 6-[2-(3,4-dihydroxyphenyl)ethylamino]hexanoic acid phenethyl ester IUPAC Name: phenethyl 6-[2-(3,4-dihydroxyphenyl)ethylamino]hexanoate Traditional Name: 6-[2-(3,4-dihydroxyphenyl)ethylamino]hexanoic acid phenethyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCCCCNCCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCCCCNCCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C22H29NO4/c24-20-11-10-19(17-21(20)25)12-15-23-14-6-2-5-9-22(26)27-16-13-18-7-3-1-4-8-18/h1,3-4,7-8,10-11,17,23-25H,2,5-6,9,12-16H2