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

Systemtic Name: 3-[6-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]hexoxy]-2-thiophen-2-yl-chromen-4-one Openeye Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]hexoxy]-2-(2-thienyl)chromen-4-one CAS Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]hexoxy]-2-thiophen-2-yl-1-benzopyran-4-one IUPAC Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]hexoxy]-2-thiophen-2-ylchromen-4-one Traditional Name: 3-[6-[4-(4-chlorophenyl)-4-hydroxy-piperidino]hexoxy]-2-(2-thienyl)chromone Formula: C30H32ClNO4S MolecularWeight: 538.09738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCCCCOC3=C(OC4=CC=CC=C4C3=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCCCCOC3=C(OC4=CC=CC=C4C3=O)C5=CC=CS5

InChI

InChI=1S/C30H32ClNO4S/c31-23-13-11-22(12-14-23)30(34)15-18-32(19-16-30)17-5-1-2-6-20-35-29-27(33)24-8-3-4-9-25(24)36-28(29)26-10-7-21-37-26/h3-4,7-14,21,34H,1-2,5-6,15-20H2