4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoyl]amino]benzoic acid CAS Name: 4-[[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoyl]amino]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoyl]amino]benzoic acid Formula: C28H33NO6 MolecularWeight: 479.56472

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H33NO6/c1-17(33-2)34-16-35-25-8-5-22(26(30)29-23-6-3-21(4-7-23)27(31)32)12-24(25)28-13-18-9-19(14-28)11-20(10-18)15-28/h3-8,12,17-20H,9-11,13-16H2,1-2H3,(H,29,30)(H,31,32)