ethyl 4-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[[1-(1-adamantyl)ethylamino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[1-(1-adamantyl)ethylamino]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[1-(1-adamantyl)ethylamino]methyl]-2-furyl]benzoic acid ethyl ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNC(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H33NO3/c1-3-29-25(28)22-6-4-21(5-7-22)24-9-8-23(30-24)16-27-17(2)26-13-18-10-19(14-26)12-20(11-18)15-26/h4-9,17-20,27H,3,10-16H2,1-2H3