[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4CCN(CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4CCN(CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H37N3O4/c1-18(27-14-19-11-20(15-27)13-21(12-19)16-27)28-24(31)17-34-25(32)22-7-9-30(10-8-22)26(33)29-23-5-3-2-4-6-23/h2-6,18-22H,7-17H2,1H3,(H,28,31)(H,29,33)