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

Systemtic Name: 4-[[3-(1-adamantyl)-4-hexoxy-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-4-hexoxy-benzoyl]amino]benzoic acid CAS Name: 4-[[[3-(1-adamantyl)-4-hexoxyphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-4-hexoxybenzoyl]amino]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-4-hexoxy-benzoyl]amino]benzoic acid Formula: C30H37NO4 MolecularWeight: 475.61908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H37NO4/c1-2-3-4-5-12-35-27-11-8-24(28(32)31-25-9-6-23(7-10-25)29(33)34)16-26(27)30-17-20-13-21(18-30)15-22(14-20)19-30/h6-11,16,20-22H,2-5,12-15,17-19H2,1H3,(H,31,32)(H,33,34)