tert-butyl 2-[[2-[2-[(4-cyano-2-methoxy-phenyl)methylcarbamoyl]-2-cyclohexyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[2-[2-[(4-cyano-2-methoxy-phenyl)methylcarbamoyl]-2-cyclohexyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]ethanoate Openeye Name: tert-butyl 2-[[2-[2-[(4-cyano-2-methoxy-phenyl)methylcarbamoyl]-2-cyclohexyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]acetate CAS Name: 2-[[2-[2-[[(4-cyano-2-methoxyphenyl)methylamino]-oxomethyl]-2-cyclohexyl-1-pyrrolidinyl]-2-oxoethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[2-[(4-cyano-2-methoxyphenyl)methylcarbamoyl]-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]amino]acetate Traditional Name: 2-[[2-[2-[(4-cyano-2-methoxy-benzyl)carbamoyl]-2-cyclohexyl-pyrrolidino]-2-keto-ethyl]amino]acetic acid tert-butyl ester Formula: C28H40N4O5 MolecularWeight: 512.641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNCC(=O)N1CCCC1(C2CCCCC2)C(=O)NCC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CC(C)(C)OC(=O)CNCC(=O)N1CCCC1(C2CCCCC2)C(=O)NCC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C28H40N4O5/c1-27(2,3)37-25(34)19-30-18-24(33)32-14-8-13-28(32,22-9-6-5-7-10-22)26(35)31-17-21-12-11-20(16-29)15-23(21)36-4/h11-12,15,22,30H,5-10,13-14,17-19H2,1-4H3,(H,31,35)