(6-cyano-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-yl) 2,2-dimethylpropanoate

Systemtic Name: (6-cyano-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-yl) 2,2-dimethylpropanoate Openeye Name: (6-cyano-2,2-dimethyl-4-pyrrolidin-1-yl-chroman-3-yl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-cyano-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: (6-cyano-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (6-cyano-2,2-dimethyl-4-pyrrolidino-chroman-3-yl) ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3)OC(=O)C(C)(C)C)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3)OC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H28N2O3/c1-20(2,3)19(24)25-18-17(23-10-6-7-11-23)15-12-14(13-22)8-9-16(15)26-21(18,4)5/h8-9,12,17-18H,6-7,10-11H2,1-5H3