ethyl 1-[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(adamantane-1-carbonylamino)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[1-adamantyl(oxo)methyl]amino]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(adamantane-1-carbonylamino)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(adamantane-1-carbonylamino)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H36N2O4/c1-2-33-25(31)23-7-9-29(10-8-23)24(30)22-5-3-18(4-6-22)17-28-26(32)27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,19-21,23H,2,7-17H2,1H3,(H,28,32)