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

Systemtic Name: methyl 4-chloranyl-3-[(3-chloranyl-1-adamantyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(3-chloroadamantane-1-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[(3-chloro-1-adamantyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(3-chloroadamantane-1-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(3-chloroadamantane-1-carbonyl)amino]benzoic acid methyl ester Formula: C19H21Cl2NO3 MolecularWeight: 382.28094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2NO3/c1-25-16(23)13-2-3-14(20)15(5-13)22-17(24)18-6-11-4-12(7-18)9-19(21,8-11)10-18/h2-3,5,11-12H,4,6-10H2,1H3,(H,22,24)