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

Systemtic Name: (E)-2-benzamido-3-[3-chloranyl-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-chloro-5-ethoxy-4-(2-methylallyloxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-chloro-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-chloro-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-chloro-5-ethoxy-4-(2-methylallyloxy)phenyl]acrylic acid Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)Cl)OCC(=C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Cl)OCC(=C)C

InChI

InChI=1S/C22H22ClNO5/c1-4-28-19-12-15(10-17(23)20(19)29-13-14(2)3)11-18(22(26)27)24-21(25)16-8-6-5-7-9-16/h5-12H,2,4,13H2,1,3H3,(H,24,25)(H,26,27)/b18-11+