ethyl 1-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-adamantyl(m-anisyl)amino]-2-keto-ethyl]isonipecotic acid ethyl ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)N(CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)N(CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H40N2O4/c1-3-34-27(32)24-7-9-29(10-8-24)19-26(31)30(18-20-5-4-6-25(14-20)33-2)28-15-21-11-22(16-28)13-23(12-21)17-28/h4-6,14,21-24H,3,7-13,15-19H2,1-2H3