tert-butyl 3-[[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]piperidine-1-carboxylate CAS Name: 3-[4-cyano-2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]piperidine-1-carboxylate Traditional Name: 3-[4-cyano-2-(veratrylcarbamoyl)anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)NC2=C(C=C(C=C2)C#N)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)NC2=C(C=C(C=C2)C#N)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H34N4O5/c1-27(2,3)36-26(33)31-12-6-7-20(17-31)30-22-10-8-18(15-28)13-21(22)25(32)29-16-19-9-11-23(34-4)24(14-19)35-5/h8-11,13-14,20,30H,6-7,12,16-17H2,1-5H3,(H,29,32)