2-(4-phenethylpiperidin-1-yl)-2,3-dihydrochromene-4,4,7-triol

Systemtic Name: 2-(4-phenethylpiperidin-1-yl)-2,3-dihydrochromene-4,4,7-triol Openeye Name: 2-(4-phenethyl-1-piperidyl)chromane-4,4,7-triol CAS Name: 2-(4-phenethyl-1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-4,4,7-triol IUPAC Name: 2-(4-phenethylpiperidin-1-yl)-2,3-dihydrochromene-4,4,7-triol Traditional Name: 2-(4-phenethylpiperidino)chroman-4,4,7-triol Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)C3CC(C4=C(O3)C=C(C=C4)O)(O)O

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)C3CC(C4=C(O3)C=C(C=C4)O)(O)O

InChI

InChI=1S/C22H27NO4/c24-18-8-9-19-20(14-18)27-21(15-22(19,25)26)23-12-10-17(11-13-23)7-6-16-4-2-1-3-5-16/h1-5,8-9,14,17,21,24-26H,6-7,10-13,15H2