[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonylphenyl] adamantane-1-carboxylate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonylphenyl] adamantane-1-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[4-(2-furoyl)piperazine-1-carbonyl]phenyl] ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2OC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CO6

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2OC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CO6

InChI

InChI=1S/C27H30N2O5/c30-24(28-7-9-29(10-8-28)25(31)23-6-3-11-33-23)21-4-1-2-5-22(21)34-26(32)27-15-18-12-19(16-27)14-20(13-18)17-27/h1-6,11,18-20H,7-10,12-17H2