[3-(4-azanyl-4-oxidanylidene-butyl)-4-oxidanyl-phenyl] 5-[2,5-bis(oxidanyl)phenyl]pentanoate

Systemtic Name: [3-(4-azanyl-4-oxidanylidene-butyl)-4-oxidanyl-phenyl] 5-[2,5-bis(oxidanyl)phenyl]pentanoate Openeye Name: [3-(4-amino-4-oxo-butyl)-4-hydroxy-phenyl] 5-(2,5-dihydroxyphenyl)pentanoate CAS Name: 5-(2,5-dihydroxyphenyl)pentanoic acid [3-(4-amino-4-oxobutyl)-4-hydroxyphenyl] ester IUPAC Name: [3-(4-amino-4-oxobutyl)-4-hydroxyphenyl] 5-(2,5-dihydroxyphenyl)pentanoate Traditional Name: 5-(2,5-dihydroxyphenyl)valeric acid [3-(4-amino-4-keto-butyl)-4-hydroxy-phenyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)CCCCC(=O)OC2=CC(=C(C=C2)O)CCCC(=O)N)O

Isomeric SMILES

C1=CC(=C(C=C1O)CCCCC(=O)OC2=CC(=C(C=C2)O)CCCC(=O)N)O

InChI

InChI=1S/C21H25NO6/c22-20(26)6-3-5-15-13-17(9-11-19(15)25)28-21(27)7-2-1-4-14-12-16(23)8-10-18(14)24/h8-13,23-25H,1-7H2,(H2,22,26)