1-[[3-(4-hydroxyphenyl)-7-oxidanyl-2H-chromen-6-yl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[3-(4-hydroxyphenyl)-7-oxidanyl-2H-chromen-6-yl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[7-hydroxy-3-(4-hydroxyphenyl)-2H-chromen-6-yl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[[7-hydroxy-3-(4-hydroxyphenyl)-2H-1-benzopyran-6-yl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[7-hydroxy-3-(4-hydroxyphenyl)-2H-chromen-6-yl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[[7-hydroxy-3-(4-hydroxyphenyl)-2H-chromen-6-yl]methyl]pipecolinic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)CC2=C(C=C3C(=C2)C=C(CO3)C4=CC=C(C=C4)O)O

Isomeric SMILES

C1CCN(C(C1)C(=O)O)CC2=C(C=C3C(=C2)C=C(CO3)C4=CC=C(C=C4)O)O

InChI

InChI=1S/C22H23NO5/c24-18-6-4-14(5-7-18)17-10-15-9-16(20(25)11-21(15)28-13-17)12-23-8-2-1-3-19(23)22(26)27/h4-7,9-11,19,24-25H,1-3,8,12-13H2,(H,26,27)