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

Systemtic Name: 3-[5-[(1-adamantylamino)methyl]furan-2-yl]-4-chloranyl-benzoic acid Openeye Name: 3-[5-[(1-adamantylamino)methyl]-2-furyl]-4-chloro-benzoic acid CAS Name: 3-[5-[(1-adamantylamino)methyl]-2-furanyl]-4-chlorobenzoic acid IUPAC Name: 3-[5-[(1-adamantylamino)methyl]furan-2-yl]-4-chlorobenzoic acid Traditional Name: 3-[5-[(1-adamantylamino)methyl]-2-furyl]-4-chloro-benzoic acid Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=CC=C(O4)C5=C(C=CC(=C5)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=CC=C(O4)C5=C(C=CC(=C5)C(=O)O)Cl

InChI

InChI=1S/C22H24ClNO3/c23-19-3-1-16(21(25)26)8-18(19)20-4-2-17(27-20)12-24-22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,8,13-15,24H,5-7,9-12H2,(H,25,26)