methyl 4-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonylamino]benzoate Openeye Name: methyl 4-[[(5S,7R)-3-bromoadamantane-1-carbonyl]amino]benzoate CAS Name: 4-[[[(5S,7R)-3-bromo-1-adamantyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5S,7R)-3-bromoadamantane-1-carbonyl]amino]benzoate Traditional Name: 4-[[(5S,7R)-3-bromoadamantane-1-carbonyl]amino]benzoic acid methyl ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H22BrNO3/c1-24-16(22)14-2-4-15(5-3-14)21-17(23)18-7-12-6-13(8-18)10-19(20,9-12)11-18/h2-5,12-13H,6-11H2,1H3,(H,21,23)/t12-,13+,18?,19?