(phenylmethyl) 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: (phenylmethyl) 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: benzyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-benzyl-4-oxo-butanoate CAS Name: 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-oxo-2-(phenylmethyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-benzyl-4-oxobutanoate Traditional Name: 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-benzyl-4-keto-butyric acid benzyl ester Formula: C26H31NO3 MolecularWeight: 405.52924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H31NO3/c28-25(27-17-22-13-7-8-14-23(22)18-27)16-24(15-20-9-3-1-4-10-20)26(29)30-19-21-11-5-2-6-12-21/h1-6,9-12,22-24H,7-8,13-19H2