methyl (3aS,7aS)-4-oxidanyl-7-oxidanylidene-4-phenyl-2-(phenylmethyl)-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate

Systemtic Name: methyl (3aS,7aS)-4-oxidanyl-7-oxidanylidene-4-phenyl-2-(phenylmethyl)-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: methyl (3aS,7aS)-2-benzyl-4-hydroxy-7-oxo-4-phenyl-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: (3aS,7aS)-4-hydroxy-7-oxo-4-phenyl-2-(phenylmethyl)-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aS,7aS)-2-benzyl-4-hydroxy-7-oxo-4-phenyl-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: (3aS,7aS)-2-benzyl-4-hydroxy-7-keto-4-phenyl-3,5,6,7a-tetrahydro-1H-isoindole-3a-carboxylic acid methyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CN(CC1C(=O)CCC2(C3=CC=CC=C3)O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@]12CN(C[C@H]1C(=O)CCC2(C3=CC=CC=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H25NO4/c1-28-21(26)22-16-24(14-17-8-4-2-5-9-17)15-19(22)20(25)12-13-23(22,27)18-10-6-3-7-11-18/h2-11,19,27H,12-16H2,1H3/t19-,22-,23?/m0/s1