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

Systemtic Name: methyl 4-chloranyl-3-[(3-phenyl-1-adamantyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(3-phenyladamantane-1-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[oxo-(3-phenyl-1-adamantyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(3-phenyladamantane-1-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(3-phenyladamantane-1-carbonyl)amino]benzoic acid methyl ester Formula: C25H26ClNO3 MolecularWeight: 423.93184

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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)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C25H26ClNO3/c1-30-22(28)18-7-8-20(26)21(10-18)27-23(29)25-13-16-9-17(14-25)12-24(11-16,15-25)19-5-3-2-4-6-19/h2-8,10,16-17H,9,11-15H2,1H3,(H,27,29)