[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-phenyladamantane-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4)/N

InChI

InChI=1S/C23H26N2O3/c1-15(25)19(12-24)20(26)13-28-21(27)23-10-16-7-17(11-23)9-22(8-16,14-23)18-5-3-2-4-6-18/h2-6,16-17H,7-11,13-14,25H2,1H3/b19-15+