2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-methoxy-benzoic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-5-methoxybenzoic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-5-methoxybenzoic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-methoxy-benzoic acid Formula: C26H28ClNO4 MolecularWeight: 453.95782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C26H28ClNO4/c1-32-19-3-4-20(21(10-19)25(30)31)18-2-5-23(27)22(9-18)24(29)28-14-26-11-15-6-16(12-26)8-17(7-15)13-26/h2-5,9-10,15-17H,6-8,11-14H2,1H3,(H,28,29)(H,30,31)