2-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloranyl-phenyl]benzoic acid

Systemtic Name: 2-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloranyl-phenyl]benzoic acid Openeye Name: 2-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloro-phenyl]benzoic acid CAS Name: 2-[3-[[2-(1-adamantyl)ethylamino]-oxomethyl]-4-chlorophenyl]benzoic acid IUPAC Name: 2-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chlorophenyl]benzoic acid Traditional Name: 2-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloro-phenyl]benzoic acid Formula: C26H28ClNO3 MolecularWeight: 437.95842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=C(C=CC(=C4)C5=CC=CC=C5C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=C(C=CC(=C4)C5=CC=CC=C5C(=O)O)Cl

InChI

InChI=1S/C26H28ClNO3/c27-23-6-5-19(20-3-1-2-4-21(20)25(30)31)12-22(23)24(29)28-8-7-26-13-16-9-17(14-26)11-18(10-16)15-26/h1-6,12,16-18H,7-11,13-15H2,(H,28,29)(H,30,31)