methyl 5-[[4-[2-(1-adamantyl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(1-adamantyl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-(1-adamantyl)-1-oxoethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C24H34N2O4 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N2O4/c1-29-23(28)21-4-3-20(30-21)16-25-5-2-6-26(8-7-25)22(27)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h3-4,17-19H,2,5-16H2,1H3