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

Systemtic Name: 4-chloranyl-3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]furan-2-yl]benzoic acid Openeye Name: 4-chloro-3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-furyl]benzoic acid CAS Name: 4-chloro-3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-furanyl]benzoic acid IUPAC Name: 4-chloro-3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]furan-2-yl]benzoic acid Traditional Name: 4-chloro-3-[5-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-furyl]benzoic acid Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClNO3/c1-22-8-15-9-23(2,12-22)14-24(10-15,13-22)26-11-17-4-6-20(29-17)18-7-16(21(27)28)3-5-19(18)25/h3-7,15,26H,8-14H2,1-2H3,(H,27,28)