2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonylamino]ethanoate

Systemtic Name: 2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonylamino]ethanoate Openeye Name: 2-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]acetate CAS Name: 2-[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]acetate Traditional Name: 2-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]acetate Formula: C20H24NO3- MolecularWeight: 326.40946

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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)C23C[C@H]4C[C@@H](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)/p-1/t14-,15+,19?,20?