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

Systemtic Name: (E)-2-acetamido-3-[4-[(3-bromophenyl)methoxy]-3-chloranyl-5-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[4-[(3-bromophenyl)methoxy]-3-chloro-5-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[4-[(3-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[4-[(3-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[4-(3-bromobenzyl)oxy-3-chloro-5-ethoxy-phenyl]acrylic acid Formula: C20H19BrClNO5 MolecularWeight: 468.72556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C)Cl)OCC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Cl)OCC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H19BrClNO5/c1-3-27-18-10-14(9-17(20(25)26)23-12(2)24)8-16(22)19(18)28-11-13-5-4-6-15(21)7-13/h4-10H,3,11H2,1-2H3,(H,23,24)(H,25,26)/b17-9+