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

Systemtic Name: 3-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]benzoic acid Openeye Name: 3-[[3-(p-tolyl)adamantane-1-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-(p-tolyl)adamantane-1-carbonyl]amino]benzoic acid Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H27NO3/c1-16-5-7-20(8-6-16)24-11-17-9-18(12-24)14-25(13-17,15-24)23(29)26-21-4-2-3-19(10-21)22(27)28/h2-8,10,17-18H,9,11-15H2,1H3,(H,26,29)(H,27,28)