ditert-butyl 1-[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]pyrrolidine-2,2-dicarboxylate

Systemtic Name: ditert-butyl 1-[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]pyrrolidine-2,2-dicarboxylate Openeye Name: ditert-butyl 1-[(E)-3-(1H-imidazol-5-yl)allyl]pyrrolidine-2,2-dicarboxylate CAS Name: 1-[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]pyrrolidine-2,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 1-[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]pyrrolidine-2,2-dicarboxylate Traditional Name: 1-[(E)-3-(1H-imidazol-5-yl)allyl]pyrrolidine-2,2-dicarboxylic acid ditert-butyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCN1CC=CC2=CN=CN2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCN1C/C=C/C2=CN=CN2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O4/c1-18(2,3)26-16(24)20(17(25)27-19(4,5)6)10-8-12-23(20)11-7-9-15-13-21-14-22-15/h7,9,13-14H,8,10-12H2,1-6H3,(H,21,22)/b9-7+