3-[6-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]hexoxy]-2-cyclobutyl-chromen-4-one

Systemtic Name: 3-[6-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]hexoxy]-2-cyclobutyl-chromen-4-one Openeye Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]hexoxy]-2-cyclobutyl-chromen-4-one CAS Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]hexoxy]-2-cyclobutyl-1-benzopyran-4-one IUPAC Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]hexoxy]-2-cyclobutylchromen-4-one Traditional Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxy-piperidino]hexoxy]-2-cyclobutyl-chromone Formula: C30H36ClNO4 MolecularWeight: 510.06414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=C(C(=O)C3=CC=CC=C3O2)OCCCCCCN4CCC(CC4)(C5=CC=C(C=C5)Cl)O

Isomeric SMILES

C1CC(C1)C2=C(C(=O)C3=CC=CC=C3O2)OCCCCCCN4CCC(CC4)(C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C30H36ClNO4/c31-24-14-12-23(13-15-24)30(34)16-19-32(20-17-30)18-5-1-2-6-21-35-29-27(33)25-10-3-4-11-26(25)36-28(29)22-8-7-9-22/h3-4,10-15,22,34H,1-2,5-9,16-21H2