[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O5/c1-33-22-4-2-21(3-5-22)28-6-8-29(9-7-28)23(30)17-34-24(31)16-27-25(32)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,18-20H,6-17H2,1H3,(H,27,32)