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

Systemtic Name: ethyl 2-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]acetate CAS Name: 2-[[[3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]acetate Traditional Name: 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]acetic acid ethyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)CNC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H29NO3/c1-3-26-19(24)13-23-20(25)22-11-16-8-17(12-22)10-21(9-16,14-22)18-6-4-15(2)5-7-18/h4-7,16-17H,3,8-14H2,1-2H3,(H,23,25)