3-(4-chloranylphenoxy)-2-methyl-4-oxidanyl-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(4-chloranylphenoxy)-2-methyl-4-oxidanyl-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-chlorophenoxy)-4-hydroxy-2-methyl-8-(1-piperidylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-chlorophenoxy)-4-hydroxy-2-methyl-8-(1-piperidinylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-chlorophenoxy)-4-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-chlorophenoxy)-4-hydroxy-2-methyl-8-(piperidinomethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)CN3CCCCC3)O)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)CN3CCCCC3)O)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClNO4/c1-14-21(28-16-7-5-15(23)6-8-16)20(26)17-9-10-19(25)18(22(17)27-14)13-24-11-3-2-4-12-24/h5-8,18,22,26H,2-4,9-13H2,1H3