ethyl 3-[[(3R,5S)-3,5-dimethyl-1-adamantyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[(3R,5S)-3,5-dimethyl-1-adamantyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]benzoate CAS Name: 3-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]benzoate Traditional Name: 3-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C

InChI

InChI=1S/C22H29NO3/c1-4-26-18(24)16-6-5-7-17(8-16)23-19(25)22-11-15-9-20(2,13-22)12-21(3,10-15)14-22/h5-8,15H,4,9-14H2,1-3H3,(H,23,25)/t15?,20-,21+,22?