4-[2-[2-(6-oxidanyl-4-oxidanylidene-2-phenethyl-3H-pyran-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[2-(6-oxidanyl-4-oxidanylidene-2-phenethyl-3H-pyran-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[2-(6-hydroxy-4-oxo-2-phenethyl-3H-pyran-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[2-(6-hydroxy-4-oxo-2-phenethyl-3H-pyran-2-yl)phenoxy]ethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[2-(6-hydroxy-4-oxo-2-phenethyl-3H-pyran-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[2-(6-hydroxy-4-keto-2-phenethyl-3H-pyran-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2C3(CC(=O)C=C(O3)O)CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2C3(CC(=O)C=C(O3)O)CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H30N2O6/c29-21-18-24(30)34-26(19-21,11-10-20-6-2-1-3-7-20)22-8-4-5-9-23(22)33-17-16-27-12-14-28(15-13-27)25(31)32/h1-9,18,30H,10-17,19H2,(H,31,32)