1-ethanoyl-1-(2-methoxyphenyl)-7-oxidanylidene-4-phenyl-2,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid

Systemtic Name: 1-ethanoyl-1-(2-methoxyphenyl)-7-oxidanylidene-4-phenyl-2,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid Openeye Name: 1-acetyl-1-(2-methoxyphenyl)-7-oxo-4-phenyl-2,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid CAS Name: 1-acetyl-1-(2-methoxyphenyl)-7-oxo-4-phenyl-2,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid IUPAC Name: 1-acetyl-1-(2-methoxyphenyl)-7-oxo-4-phenyl-2,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid Traditional Name: 1-acetyl-7-keto-1-(2-methoxyphenyl)-4-phenyl-2,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2C(=O)CCC(C2(CN1)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CC(=O)C1(C2C(=O)CCC(C2(CN1)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H25NO5/c1-15(26)24(18-10-6-7-11-20(18)30-2)21-19(27)13-12-17(16-8-4-3-5-9-16)23(21,14-25-24)22(28)29/h3-11,17,21,25H,12-14H2,1-2H3,(H,28,29)