4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: 4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: 4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-benzyl-4-oxo-butanoate CAS Name: 4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: 4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-benzyl-4-oxobutanoate Traditional Name: 4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-benzyl-4-keto-butyrate Formula: C19H22NO3- MolecularWeight: 312.38288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1CN(C2)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C=CCC2C1CN(C2)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H23NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-7,15-17H,8-13H2,(H,22,23)/p-1