[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-[1-adamantyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H29FN2O3 MolecularWeight: 424.507763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29FN2O3/c1-27-8-2-3-22(27)24(30)31-16-23(29)28(15-17-4-6-21(26)7-5-17)25-12-18-9-19(13-25)11-20(10-18)14-25/h2-8,18-20H,9-16H2,1H3