methyl 1-[3-(1-adamantylcarbonylamino)propanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(1-adamantylcarbonylamino)propanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[3-(adamantane-1-carbonylamino)propanoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(adamantane-1-carbonylamino)propanoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-(adamantane-1-carbonylamino)propanoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C27H36N2O4/c1-33-25(32)27(22-5-3-2-4-6-22)8-11-29(12-9-27)23(30)7-10-28-24(31)26-16-19-13-20(17-26)15-21(14-19)18-26/h2-6,19-21H,7-18H2,1H3,(H,28,31)