(E)-2-benzamido-3-(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(3-ethoxy-5-iodo-4-isopropoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(3-ethoxy-5-iodo-4-isopropoxy-phenyl)acrylic acid Formula: C21H22INO5 MolecularWeight: 495.30755

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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)I)OC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)I)OC(C)C

InChI

InChI=1S/C21H22INO5/c1-4-27-18-12-14(10-16(22)19(18)28-13(2)3)11-17(21(25)26)23-20(24)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)/b17-11+