(3aS,7aS)-5-methyl-2-(4-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aS)-5-methyl-2-(4-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-5-methyl-2-(4-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-5-methyl-2-(4-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-5-methyl-2-(4-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-5-methyl-2-(4-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21NO4/c1-15-7-12-19-20(13-15)23(27)24(22(19)26)17-8-10-18(11-9-17)28-14-21(25)16-5-3-2-4-6-16/h2-11,19-20H,12-14H2,1H3/t19-,20-/m0/s1