ethyl 3-tert-butyl-4-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]benzoate

Systemtic Name: ethyl 3-tert-butyl-4-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]benzoate Openeye Name: ethyl 3-tert-butyl-4-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]benzoate CAS Name: 3-tert-butyl-4-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-tert-butyl-4-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]benzoate Traditional Name: 3-tert-butyl-4-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]benzoic acid ethyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)OCC2CCC(N2)C(=O)N3CCCC3C#N)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)OCC2CCC(N2)C(=O)N3CCCC3C#N)C(C)(C)C

InChI

InChI=1S/C24H33N3O4/c1-5-30-23(29)16-8-11-21(19(13-16)24(2,3)4)31-15-17-9-10-20(26-17)22(28)27-12-6-7-18(27)14-25/h8,11,13,17-18,20,26H,5-7,9-10,12,15H2,1-4H3