[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H38N4O4/c32-24(29-22-4-6-23(7-5-22)31-10-2-1-3-11-31)18-35-25(33)8-9-28-26(34)30-27-15-19-12-20(16-27)14-21(13-19)17-27/h4-7,19-21H,1-3,8-18H2,(H,29,32)(H2,28,30,34)