1-[1-(3-methoxy-4-oxidanyl-phenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

Systemtic Name: 1-[1-(3-methoxy-4-oxidanyl-phenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Openeye Name: 1-[4a-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(4-methoxyphenyl)prop-2-en-1-one CAS Name: 1-[4a-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(4-methoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4a-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4a-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CCC3(CCCCC3C2C4=CC(=C(C=C4)O)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)N2CCC3(CCCCC3C2C4=CC(=C(C=C4)O)OC)O

InChI

InChI=1S/C26H31NO5/c1-31-20-10-6-18(7-11-20)8-13-24(29)27-16-15-26(30)14-4-3-5-21(26)25(27)19-9-12-22(28)23(17-19)32-2/h6-13,17,21,25,28,30H,3-5,14-16H2,1-2H3