3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-furyl]benzoic acid Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C

InChI

InChI=1S/C24H29NO3/c1-22-9-16-10-23(2,13-22)15-24(11-16,14-22)25-12-19-6-7-20(28-19)17-4-3-5-18(8-17)21(26)27/h3-8,16,25H,9-15H2,1-2H3,(H,26,27)