6-[3-(1-adamantyl)-4-aminocarbonyl-phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-4-aminocarbonyl-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-carbamoyl-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-carbamoylphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-carbamoylphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-carbamoyl-phenyl]-2-naphthoic acid Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)C(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)C(=O)N

InChI

InChI=1S/C28H27NO3/c29-26(30)24-6-5-22(20-1-2-21-11-23(27(31)32)4-3-19(21)10-20)12-25(24)28-13-16-7-17(14-28)9-18(8-16)15-28/h1-6,10-12,16-18H,7-9,13-15H2,(H2,29,30)(H,31,32)