tert-butyl 2-[5-[4-(5-cyanopyrimidin-2-yl)phenyl]-1-methanoyl-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[4-(5-cyanopyrimidin-2-yl)phenyl]-1-methanoyl-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: tert-butyl 2-[5-[4-(5-cyanopyrimidin-2-yl)phenyl]-1-formyl-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[4-(5-cyano-2-pyrimidinyl)phenyl]-1-formyl-2-oxo-3-pyrrolidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[4-(5-cyanopyrimidin-2-yl)phenyl]-1-formyl-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[4-(5-cyanopyrimidin-2-yl)phenyl]-1-formyl-2-keto-pyrrolidin-3-yl]acetic acid tert-butyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CC(N(C1=O)C=O)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CC1CC(N(C1=O)C=O)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

InChI

InChI=1S/C22H22N4O4/c1-22(2,3)30-19(28)9-17-8-18(26(13-27)21(17)29)15-4-6-16(7-5-15)20-24-11-14(10-23)12-25-20/h4-7,11-13,17-18H,8-9H2,1-3H3