O5-(furan-3-ylmethylamino) O1-(phenylmethyl) (E)-2-ethanoyl-3-ethyl-4-methyl-pent-2-enedioate

Systemtic Name: O5-(furan-3-ylmethylamino) O1-(phenylmethyl) (E)-2-ethanoyl-3-ethyl-4-methyl-pent-2-enedioate Openeye Name: O1-benzyl O5-(3-furylmethylamino) (E)-2-acetyl-3-ethyl-4-methyl-pent-2-enedioate CAS Name: (E)-2-acetyl-3-ethyl-4-methyl-2-pentenedioic acid O5-(3-furanylmethylamino) ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O-(furan-3-ylmethylamino) (E)-2-acetyl-3-ethyl-4-methylpent-2-enedioate Traditional Name: (E)-2-acetyl-3-ethyl-4-methyl-pent-2-enedioic acid O1-benzyl ester O5-(3-furfurylamino) ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C(=O)C)C(=O)OCC1=CC=CC=C1)C(C)C(=O)ONCC2=COC=C2

Isomeric SMILES

CC/C(=C(/C(=O)C)\C(=O)OCC1=CC=CC=C1)/C(C)C(=O)ONCC2=COC=C2

InChI

InChI=1S/C22H25NO6/c1-4-19(15(2)21(25)29-23-12-18-10-11-27-13-18)20(16(3)24)22(26)28-14-17-8-6-5-7-9-17/h5-11,13,15,23H,4,12,14H2,1-3H3/b20-19+