2-[[3-(3,4-dimethylphenyl)-1-adamantyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-(3,4-dimethylphenyl)-1-adamantyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[3-(3,4-dimethylphenyl)-1-adamantyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]amino]benzoic acid Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC=C5C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC=C5C(=O)O)C

InChI

InChI=1S/C26H29NO3/c1-16-7-8-20(9-17(16)2)25-11-18-10-19(12-25)14-26(13-18,15-25)24(30)27-22-6-4-3-5-21(22)23(28)29/h3-9,18-19H,10-15H2,1-2H3,(H,27,30)(H,28,29)