tert-butyl 4-[4-[2-(5-cyano-2-phenylmethoxy-phenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-(5-cyano-2-phenylmethoxy-phenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(2-benzyloxy-5-cyano-phenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[2-(5-cyano-2-phenylmethoxyphenoxy)ethylamino]-oxomethyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(5-cyano-2-phenylmethoxyphenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(2-benzoxy-5-cyano-phenoxy)ethylcarbamoyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H37N3O6 MolecularWeight: 571.66338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCOC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCOC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C33H37N3O6/c1-33(2,3)42-32(38)36-18-15-28(16-19-36)41-27-12-10-26(11-13-27)31(37)35-17-20-39-30-21-25(22-34)9-14-29(30)40-23-24-7-5-4-6-8-24/h4-14,21,28H,15-20,23H2,1-3H3,(H,35,37)