[(Z)-[(3Z)-3-(1-adamantylcarbonyloxyimino)butan-2-ylidene]amino] adamantane-1-carboxylate

Systemtic Name: [(Z)-[(3Z)-3-(1-adamantylcarbonyloxyimino)butan-2-ylidene]amino] adamantane-1-carboxylate Openeye Name: [(Z)-[(2Z)-2-(adamantane-1-carbonyloxyimino)-1-methyl-propylidene]amino] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(Z)-[(3Z)-3-[1-adamantyl(oxo)methoxy]iminobutan-2-ylidene]amino] ester IUPAC Name: [(Z)-[(3Z)-3-(adamantane-1-carbonyloxyimino)butan-2-ylidene]amino] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(Z)-[(2Z)-2-(adamantane-1-carbonyloximino)-1-methyl-propylidene]amino] ester Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C12CC3CC(C1)CC(C3)C2)C(=NOC(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

C/C(=N/OC(=O)C12CC3CC(C1)CC(C2)C3)/C(=N\OC(=O)C45CC6CC(C4)CC(C5)C6)/C

InChI

InChI=1S/C26H36N2O4/c1-15(27-31-23(29)25-9-17-3-18(10-25)5-19(4-17)11-25)16(2)28-32-24(30)26-12-20-6-21(13-26)8-22(7-20)14-26/h17-22H,3-14H2,1-2H3/b27-15-,28-16-