[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C24H25ClN2O3/c25-24-11-16-8-17(12-24)10-23(9-16,15-24)22(29)30-14-21(28)19-13-27(7-3-6-26)20-5-2-1-4-18(19)20/h1-2,4-5,13,16-17H,3,7-12,14-15H2/t16-,17+,23?,24?