(E)-2-acetamido-3-[3-bromanyl-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[3-bromanyl-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-bromo-5-methoxy-4-(m-tolylmethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-bromo-5-methoxy-4-(3-methylbenzyl)oxy-phenyl]acrylic acid Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2Br)C=C(C(=O)O)NC(=O)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2Br)/C=C(\C(=O)O)/NC(=O)C)OC

InChI

InChI=1S/C20H20BrNO5/c1-12-5-4-6-14(7-12)11-27-19-16(21)8-15(10-18(19)26-3)9-17(20(24)25)22-13(2)23/h4-10H,11H2,1-3H3,(H,22,23)(H,24,25)/b17-9+