methyl 7-oxidanylidene-4-phenyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate

Systemtic Name: methyl 7-oxidanylidene-4-phenyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Openeye Name: methyl 2-benzyl-7-oxo-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate CAS Name: 7-oxo-4-phenyl-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-7-oxo-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Traditional Name: 2-benzyl-7-keto-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid methyl ester Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CN(CC1C(=O)CCC2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C12CN(CC1C(=O)CCC2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25NO3/c1-27-22(26)23-16-24(14-17-8-4-2-5-9-17)15-20(23)21(25)13-12-19(23)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3