2-(1-adamantylcarbonylamino)-4-chloranyl-benzoic acid

Systemtic Name: 2-(1-adamantylcarbonylamino)-4-chloranyl-benzoic acid Openeye Name: 2-(adamantane-1-carbonylamino)-4-chloro-benzoic acid CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-chlorobenzoic acid IUPAC Name: 2-(adamantane-1-carbonylamino)-4-chlorobenzoic acid Traditional Name: 2-(adamantane-1-carbonylamino)-4-chloro-benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C18H20ClNO3/c19-13-1-2-14(16(21)22)15(6-13)20-17(23)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H,20,23)(H,21,22)