tert-butyl 4-[4-(2-azanyl-4-cyano-3-ethoxy-phenyl)phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-azanyl-4-cyano-3-ethoxy-phenyl)phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-amino-4-cyano-3-ethoxy-phenyl)phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-(2-amino-4-cyano-3-ethoxyphenyl)phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-amino-4-cyano-3-ethoxyphenyl)phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-(2-amino-4-cyano-3-ethoxy-phenyl)phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1N)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCOC1=C(C=CC(=C1N)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C25H31N3O4/c1-5-30-23-18(16-26)8-11-21(22(23)27)17-6-9-19(10-7-17)31-20-12-14-28(15-13-20)24(29)32-25(2,3)4/h6-11,20H,5,12-15,27H2,1-4H3