(2S)-2-(2-hydroxyphenyl)-1-[7-(2-methoxyphenyl)-5-methyl-7-oxidanyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]propan-1-one

Systemtic Name: (2S)-2-(2-hydroxyphenyl)-1-[7-(2-methoxyphenyl)-5-methyl-7-oxidanyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]propan-1-one Openeye Name: (2S)-1-[7-hydroxy-7-(2-methoxyphenyl)-5-methyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-(2-hydroxyphenyl)propan-1-one CAS Name: (2S)-1-[7-hydroxy-7-(2-methoxyphenyl)-5-methyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-(2-hydroxyphenyl)-1-propanone IUPAC Name: (2S)-1-[7-hydroxy-7-(2-methoxyphenyl)-5-methyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-(2-hydroxyphenyl)propan-1-one Traditional Name: (2S)-1-[7-hydroxy-7-(2-methoxyphenyl)-5-methyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-(2-hydroxyphenyl)propan-1-one Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CN(CC2C(C1)(C3=CC=CC=C3OC)O)C(=O)C(C)C4=CC=CC=C4O

Isomeric SMILES

CC1CC2CN(CC2C(C1)(C3=CC=CC=C3OC)O)C(=O)[C@@H](C)C4=CC=CC=C4O

InChI

InChI=1S/C25H31NO4/c1-16-12-18-14-26(24(28)17(2)19-8-4-6-10-22(19)27)15-21(18)25(29,13-16)20-9-5-7-11-23(20)30-3/h4-11,16-18,21,27,29H,12-15H2,1-3H3/t16?,17-,18?,21?,25?/m0/s1