(E)-2-acetamido-3-[3-chloranyl-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[3-chloranyl-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-chloro-5-ethoxy-4-(2-methylallyloxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-chloro-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-chloro-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-chloro-5-ethoxy-4-(2-methylallyloxy)phenyl]acrylic acid Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C)Cl)OCC(=C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Cl)OCC(=C)C

InChI

InChI=1S/C17H20ClNO5/c1-5-23-15-8-12(7-14(17(21)22)19-11(4)20)6-13(18)16(15)24-9-10(2)3/h6-8H,2,5,9H2,1,3-4H3,(H,19,20)(H,21,22)/b14-7+