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

Systemtic Name: 4-(2-methoxyphenyl)-7-oxidanylidene-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Openeye Name: 2-benzyl-4-(2-methoxyphenyl)-7-oxo-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate CAS Name: 4-(2-methoxyphenyl)-7-oxo-2-(phenylmethyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate IUPAC Name: 2-benzyl-4-(2-methoxyphenyl)-7-oxo-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Traditional Name: 2-benzyl-7-keto-4-(2-methoxyphenyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylate Formula: C23H24NO4- MolecularWeight: 378.44096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCC(=O)C3C2(CN(C3)CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2CCC(=O)C3C2(CN(C3)CC4=CC=CC=C4)C(=O)[O-]

InChI

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