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

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-methyl-benzoic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-methyl-benzoic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-5-methylbenzoic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-5-methylbenzoic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-methyl-benzoic acid Formula: C26H28ClNO3 MolecularWeight: 437.95842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C26H28ClNO3/c1-15-2-4-20(21(6-15)25(30)31)19-3-5-23(27)22(10-19)24(29)28-14-26-11-16-7-17(12-26)9-18(8-16)13-26/h2-6,10,16-18H,7-9,11-14H2,1H3,(H,28,29)(H,30,31)