tert-butyl 3-cyano-3-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(methylamino)cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 3-cyano-3-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(methylamino)cyclohexane-1-carboxylate Openeye Name: tert-butyl 3-cyano-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(methylamino)cyclohexanecarboxylate CAS Name: 3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-(methylamino)-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-(methylamino)cyclohexane-1-carboxylate Traditional Name: 3-cyano-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(methylamino)cyclohexanecarboxylic acid tert-butyl ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCC(C1)(C#N)C2=CC(=C(C=C2)OC)OC3CCCC3)NC

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCC(C1)(C#N)C2=CC(=C(C=C2)OC)OC3CCCC3)NC

InChI

InChI=1S/C25H36N2O4/c1-23(2,3)31-22(28)25(27-4)14-8-13-24(16-25,17-26)18-11-12-20(29-5)21(15-18)30-19-9-6-7-10-19/h11-12,15,19,27H,6-10,13-14,16H2,1-5H3