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

Systemtic Name: quinolin-2-ylmethyl 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate Openeye Name: 2-quinolylmethyl 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 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 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 2-quinolylmethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N2O4/c24-19(27-13-15-10-9-14-5-1-4-8-18(14)22-15)11-12-23-20(25)16-6-2-3-7-17(16)21(23)26/h1,4-5,8-10,16-17H,2-3,6-7,11-13H2/t16-,17-/m0/s1