(E)-2-acetamido-3-(3-chloranyl-5-ethoxy-4-phenethyloxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-chloranyl-5-ethoxy-4-phenethyloxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-phenethyloxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-phenethyloxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-phenethyloxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-chloro-5-ethoxy-4-phenethyloxy-phenyl)acrylic acid Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C)Cl)OCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Cl)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H22ClNO5/c1-3-27-19-13-16(12-18(21(25)26)23-14(2)24)11-17(22)20(19)28-10-9-15-7-5-4-6-8-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,23,24)(H,25,26)/b18-12+