[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C27H38N4O5 MolecularWeight: 498.61442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H38N4O5/c1-35-23-4-2-22(3-5-23)30-8-10-31(11-9-30)24(32)18-36-25(33)6-7-28-26(34)29-27-15-19-12-20(16-27)14-21(13-19)17-27/h2-5,19-21H,6-18H2,1H3,(H2,28,29,34)