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

Systemtic Name: 6-[3-(1-adamantyl)-4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-[dimethylamino(oxo)methyl]phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-(dimethylcarbamoyl)phenyl]-2-naphthoic acid Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN(C)C(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H31NO3/c1-31(2)28(32)26-8-7-24(22-3-4-23-13-25(29(33)34)6-5-21(23)12-22)14-27(26)30-15-18-9-19(16-30)11-20(10-18)17-30/h3-8,12-14,18-20H,9-11,15-17H2,1-2H3,(H,33,34)