methyl 2-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]acetate CAS Name: 2-[[[3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]acetate Traditional Name: 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]acetic acid methyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-14-3-5-17(6-4-14)20-8-15-7-16(9-20)11-21(10-15,13-20)19(24)22-12-18(23)25-2/h3-6,15-16H,7-13H2,1-2H3,(H,22,24)