methyl 4-[[(3-chloranyl-1-adamantyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-chloranyl-1-adamantyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(3-chloroadamantane-1-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(3-chloro-1-adamantyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-chloroadamantane-1-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(3-chloroadamantane-1-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H24ClNO3/c1-25-17(23)16-4-2-13(3-5-16)11-22-18(24)19-7-14-6-15(8-19)10-20(21,9-14)12-19/h2-5,14-15H,6-12H2,1H3,(H,22,24)