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

Systemtic Name: methyl 2-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]propanoate Openeye Name: methyl 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]propanoate CAS Name: 2-[[[3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoate Traditional Name: 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]propionic acid methyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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