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

Systemtic Name: 3-(1-adamantyl)-1-[4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 3-(1-adamantyl)-1-[4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 3-(1-adamantyl)-1-[4-[dimethylamino(oxo)methyl]phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-(1-adamantyl)-1-[4-(dimethylcarbamoyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 3-(1-adamantyl)-1-[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=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

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