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

Systemtic Name: methyl 1-[3-(1-adamantylcarbamoylamino)propanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[3-(1-adamantylcarbamoylamino)propanoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(1-adamantylcarbamoylamino)propanoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-(1-adamantylcarbamoylamino)propanoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

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