2-acetamido-3-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]oxy-propanoic acid

Systemtic Name: 2-acetamido-3-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]oxy-propanoic acid Openeye Name: 2-acetamido-3-[(E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]oxy-propanoic acid CAS Name: 2-acetamido-3-[(E)-3-(3,4-diacetyloxyphenyl)-1-oxoprop-2-enoxy]propanoic acid IUPAC Name: 2-acetamido-3-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]oxypropanoic acid Traditional Name: 2-acetamido-3-[(E)-3-(3,4-diacetoxyphenyl)acryloyl]oxy-propionic acid Formula: C18H19NO9 MolecularWeight: 393.34476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC(=O)C=CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC(COC(=O)/C=C/C1=CC(=C(C=C1)OC(=O)C)OC(=O)C)C(=O)O

InChI

InChI=1S/C18H19NO9/c1-10(20)19-14(18(24)25)9-26-17(23)7-5-13-4-6-15(27-11(2)21)16(8-13)28-12(3)22/h4-8,14H,9H2,1-3H3,(H,19,20)(H,24,25)/b7-5+