methyl 1-[4-(4-cyano-2-methoxy-phenoxy)butanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(4-cyano-2-methoxy-phenoxy)butanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[4-(4-cyano-2-methoxy-phenoxy)butanoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[4-(4-cyano-2-methoxyphenoxy)-1-oxobutyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-(4-cyano-2-methoxy-phenoxy)butanoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H28N2O5/c1-30-22-17-19(18-26)10-11-21(22)32-16-6-9-23(28)27-14-12-25(13-15-27,24(29)31-2)20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3