1-adamantyl 2-(2-diethylaminoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 1-adamantyl 2-(2-diethylaminoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-adamantyl 2-(2-diethylaminoethyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-diethylaminoethyl)-1,3-dioxo-5-isoindolecarboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-(2-diethylaminoethyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-diethylaminoethyl)-1,3-diketo-isoindoline-5-carboxylic acid 1-adamantyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O4/c1-3-26(4-2)7-8-27-22(28)20-6-5-19(12-21(20)23(27)29)24(30)31-25-13-16-9-17(14-25)11-18(10-16)15-25/h5-6,12,16-18H,3-4,7-11,13-15H2,1-2H3