methyl 3-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-5-fluoranyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-5-fluoro-1H-indole-2-carboxylic acid methyl ester Formula: C21H22ClFN2O3 MolecularWeight: 404.862383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C21H22ClFN2O3/c1-28-18(26)17-16(14-5-13(23)2-3-15(14)24-17)25-19(27)20-6-11-4-12(7-20)9-21(22,8-11)10-20/h2-3,5,11-12,24H,4,6-10H2,1H3,(H,25,27)/t11-,12+,20?,21?