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3-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzoic acid

3-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzoic acid

Systemtic Name:3-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzoic acid
Openeye Name:3-[5-[[1-(1-adamantyl)ethylamino]methyl]-2-furyl]benzoic acid
CAS Name:3-[5-[[1-(1-adamantyl)ethylamino]methyl]-2-furanyl]benzoic acid
IUPAC Name:3-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzoic acid
Traditional Name:3-[5-[[1-(1-adamantyl)ethylamino]methyl]-2-furyl]benzoic acid
Formula: C24H29NO3
MolecularWeight: 379.49196
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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O


Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O


InChI

InChI=1S/C24H29NO3/c1-15(24-11-16-7-17(12-24)9-18(8-16)13-24)25-14-21-5-6-22(28-21)19-3-2-4-20(10-19)23(26)27/h2-6,10,15-18,25H,7-9,11-14H2,1H3,(H,26,27)


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