2-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]acetic acid CAS Name: 2-[[[3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]acetic acid Traditional Name: 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]acetic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-13-2-4-16(5-3-13)19-7-14-6-15(8-19)10-20(9-14,12-19)18(24)21-11-17(22)23/h2-5,14-15H,6-12H2,1H3,(H,21,24)(H,22,23)