1-[1-(3-methoxy-4-oxidanyl-phenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Formula: C28H35NO7 MolecularWeight: 497.58

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC3(CCCCC3C2C4=CC(=C(C=C4)O)OC)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC3(CCCCC3C2C4=CC(=C(C=C4)O)OC)O

InChI

InChI=1S/C28H35NO7/c1-33-22-17-19(9-10-21(22)30)26-20-7-5-6-12-28(20,32)13-14-29(26)25(31)11-8-18-15-23(34-2)27(36-4)24(16-18)35-3/h8-11,15-17,20,26,30,32H,5-7,12-14H2,1-4H3