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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClNO3/c1-14(24-10-15-6-16(11-24)8-17(7-15)12-24)26-13-19-3-5-22(29-19)20-9-18(23(27)28)2-4-21(20)25/h2-5,9,14-17,26H,6-8,10-13H2,1H3,(H,27,28)