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

Systemtic Name: 3-(3-methoxyphenoxy)-2-methyl-4-oxidanyl-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(1-piperidylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(1-piperidinylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(piperidinomethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5/c1-15-22(29-17-8-6-7-16(13-17)27-2)21(26)18-9-10-20(25)19(23(18)28-15)14-24-11-4-3-5-12-24/h6-8,13,19,23,26H,3-5,9-12,14H2,1-2H3