O3,O4-dimethyl O2-[(Z)-3-phenylprop-2-enyl] 5-(tert-butylamino)furan-2,3,4-tricarboxylate

Systemtic Name: O3,O4-dimethyl O2-[(Z)-3-phenylprop-2-enyl] 5-(tert-butylamino)furan-2,3,4-tricarboxylate Openeye Name: O2-[(Z)-cinnamyl] O3,O4-dimethyl 5-(tert-butylamino)furan-2,3,4-tricarboxylate CAS Name: 5-(tert-butylamino)furan-2,3,4-tricarboxylic acid O3,O4-dimethyl ester O2-[(Z)-3-phenylprop-2-enyl] ester IUPAC Name: 3-O,4-O-dimethyl 2-O-[(Z)-3-phenylprop-2-enyl] 5-(tert-butylamino)furan-2,3,4-tricarboxylate Traditional Name: 5-(tert-butylamino)furan-2,3,4-tricarboxylic acid O2-[(Z)-cinnamyl] ester O3,O4-dimethyl ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=C(O1)C(=O)OCC=CC2=CC=CC=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)NC1=C(C(=C(O1)C(=O)OC/C=C\C2=CC=CC=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H25NO7/c1-22(2,3)23-18-16(20(25)28-5)15(19(24)27-4)17(30-18)21(26)29-13-9-12-14-10-7-6-8-11-14/h6-12,23H,13H2,1-5H3/b12-9-