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

Systemtic Name: tert-butyl 3-[[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]pyrrolidine-1-carboxylate CAS Name: 3-[4-cyano-2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]anilino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]pyrrolidine-1-carboxylate Traditional Name: 3-[4-cyano-2-(veratrylcarbamoyl)anilino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(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)N1CCC(C1)NC2=C(C=C(C=C2)C#N)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H32N4O5/c1-26(2,3)35-25(32)30-11-10-19(16-30)29-21-8-6-17(14-27)12-20(21)24(31)28-15-18-7-9-22(33-4)23(13-18)34-5/h6-9,12-13,19,29H,10-11,15-16H2,1-5H3,(H,28,31)