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

Systemtic Name: methyl 3-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C21H23ClN2O3/c1-27-18(25)17-16(14-4-2-3-5-15(14)23-17)24-19(26)20-7-12-6-13(8-20)10-21(22,9-12)11-20/h2-5,12-13,23H,6-11H2,1H3,(H,24,26)/t12-,13+,20?,21?