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

Systemtic Name: 3-[[3-(4-methoxyphenyl)-1-adamantyl]carbonylamino]benzoic acid Openeye Name: 3-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-(4-methoxyphenyl)-1-adamantyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H27NO4/c1-30-21-7-5-19(6-8-21)24-11-16-9-17(12-24)14-25(13-16,15-24)23(29)26-20-4-2-3-18(10-20)22(27)28/h2-8,10,16-17H,9,11-15H2,1H3,(H,26,29)(H,27,28)