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

Systemtic Name: ethyl 3-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-2-28-19(26)18-17(15-5-3-4-6-16(15)24-18)25-20(27)21-8-13-7-14(9-21)11-22(23,10-13)12-21/h3-6,13-14,24H,2,7-12H2,1H3,(H,25,27)/t13-,14+,21?,22?