[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H24N2O3/c1-12(20(24)23-18-4-2-13(11-22)3-5-18)26-21(25)19-16-7-14-6-15(9-16)10-17(19)8-14/h2-5,12,14-17,19H,6-10H2,1H3,(H,23,24)/t12-,14?,15?,16?,17?,19?/m1/s1