tert-butyl 2-[[4-(4-cyanophenyl)phenoxy]methyl]-4-prop-2-enyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-(4-cyanophenyl)phenoxy]methyl]-4-prop-2-enyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-allyl-2-[[4-(4-cyanophenyl)phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(4-cyanophenyl)phenoxy]methyl]-4-prop-2-enyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-cyanophenyl)phenoxy]methyl]-4-prop-2-enylpyrrolidine-1-carboxylate Traditional Name: 4-allyl-2-[[4-(4-cyanophenyl)phenoxy]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)CC=C

InChI

InChI=1S/C26H30N2O3/c1-5-6-20-15-23(28(17-20)25(29)31-26(2,3)4)18-30-24-13-11-22(12-14-24)21-9-7-19(16-27)8-10-21/h5,7-14,20,23H,1,6,15,17-18H2,2-4H3