(E)-2-acetamido-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acrylic acid Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC)/C(=O)O

InChI

InChI=1S/C19H18BrNO5/c1-12(22)21-16(19(23)24)9-14-8-15(20)18(17(10-14)25-2)26-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24)/b16-9+