[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-benzamidoethanoate

Systemtic Name: [2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-[4-(1-adamantyl)piperazin-1-yl]-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-[4-(1-adamantyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-[4-(1-adamantyl)piperazino]-2-keto-ethyl] ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CNC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CNC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O4/c29-22(17-32-23(30)16-26-24(31)21-4-2-1-3-5-21)27-6-8-28(9-7-27)25-13-18-10-19(14-25)12-20(11-18)15-25/h1-5,18-20H,6-17H2,(H,26,31)