2-(3-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(3-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(3-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(3-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(3-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(3-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO3/c1-25-17-9-5-8-16(13-17)22-20(23)18-11-10-15(12-19(18)21(22)24)14-6-3-2-4-7-14/h2-9,13,15,18-19H,10-12H2,1H3