3-[(E)-5-benzamido-6-ethoxy-5-ethoxycarbonyl-6-oxidanylidene-hex-2-enoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(E)-5-benzamido-6-ethoxy-5-ethoxycarbonyl-6-oxidanylidene-hex-2-enoxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[(E)-5-benzamido-6-ethoxy-5-ethoxycarbonyl-6-oxo-hex-2-enoxy]-3-oxo-propanoic acid CAS Name: 3-[(E)-5-benzamido-6-ethoxy-5-ethoxycarbonyl-6-oxohex-2-enoxy]-3-oxopropanoic acid IUPAC Name: 3-[(E)-5-benzamido-6-ethoxy-5-ethoxycarbonyl-6-oxohex-2-enoxy]-3-oxopropanoic acid Traditional Name: 3-[(E)-5-benzamido-5-carbethoxy-6-ethoxy-6-keto-hex-2-enoxy]-3-keto-propionic acid Formula: C21H25NO9 MolecularWeight: 435.4245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCOC(=O)CC(=O)O)(C(=O)OCC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C/C=C/COC(=O)CC(=O)O)(C(=O)OCC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H25NO9/c1-3-29-19(27)21(20(28)30-4-2,22-18(26)15-10-6-5-7-11-15)12-8-9-13-31-17(25)14-16(23)24/h5-11H,3-4,12-14H2,1-2H3,(H,22,26)(H,23,24)/b9-8+