[2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[(3S)-3-methyl-2-oxo-indolin-5-yl]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[(3S)-2-keto-3-methyl-indolin-5-yl]ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4)NC1=O

Isomeric SMILES

C[C@H]1C2=C(C=CC(=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4)NC1=O

InChI

InChI=1S/C22H25NO4/c1-12-17-7-16(2-3-18(17)23-20(12)25)19(24)11-27-21(26)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,23,25)/t12-,13?,14?,15?,22?/m0/s1