methyl 1-[2-oxidanylidene-2-[[(5S,7R)-3-phenyl-1-adamantyl]amino]ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[(5S,7R)-3-phenyl-1-adamantyl]amino]ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-[[(5S,7R)-3-phenyl-1-adamantyl]amino]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-oxo-2-[[(5S,7R)-3-phenyl-1-adamantyl]amino]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[[(5S,7R)-3-phenyl-1-adamantyl]amino]ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[[(5S,7R)-3-phenyl-1-adamantyl]amino]ethyl]isonipecotic acid methyl ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)NC23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NC23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C25H34N2O3/c1-30-23(29)20-7-9-27(10-8-20)16-22(28)26-25-14-18-11-19(15-25)13-24(12-18,17-25)21-5-3-2-4-6-21/h2-6,18-20H,7-17H2,1H3,(H,26,28)/t18-,19+,24?,25?