(3-chlorophenyl) 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate

Systemtic Name: (3-chlorophenyl) 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate Openeye Name: (3-chlorophenyl) 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate CAS Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate Traditional Name: 3-[(3aS,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propionic acid (3-chlorophenyl) ester Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)OC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H18ClNO4/c18-11-4-3-5-12(10-11)23-15(20)8-9-19-16(21)13-6-1-2-7-14(13)17(19)22/h3-5,10,13-14H,1-2,6-9H2/t13-,14-/m0/s1