tert-butyl (2S)-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H29NO6/c1-21(2,3)28-20(24)15-8-7-11-22(15)18(23)10-9-14-12-16(25-4)19(27-6)17(13-14)26-5/h9-10,12-13,15H,7-8,11H2,1-6H3/b10-9+/t15-/m0/s1