ethyl 3-[(3-chloranyl-1-adamantyl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(3-chloranyl-1-adamantyl)carbonylamino]benzoate Openeye Name: ethyl 3-[(3-chloroadamantane-1-carbonyl)amino]benzoate CAS Name: 3-[[(3-chloro-1-adamantyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloroadamantane-1-carbonyl)amino]benzoate Traditional Name: 3-[(3-chloroadamantane-1-carbonyl)amino]benzoic acid ethyl ester Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO3/c1-2-25-17(23)15-4-3-5-16(7-15)22-18(24)19-8-13-6-14(9-19)11-20(21,10-13)12-19/h3-5,7,13-14H,2,6,8-12H2,1H3,(H,22,24)