[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1-phenylcyclobutane-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1-phenylcyclobutane-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 1-phenylcyclobutanecarboxylate CAS Name: 1-phenyl-1-cyclobutanecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate Traditional Name: 1-phenylcyclobutanecarboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1(CCC1)C2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1(CCC1)C2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H26N2O3/c1-23(20(16-22)11-6-3-7-12-20)18(24)15-26-19(25)21(13-8-14-21)17-9-4-2-5-10-17/h2,4-5,9-10H,3,6-8,11-15H2,1H3