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

Systemtic Name: (E)-2-acetamido-3-[3-chloranyl-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-chloro-5-ethoxy-4-(o-tolylmethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-chloro-5-ethoxy-4-(2-methylbenzyl)oxy-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)OCC2=CC=CC=C2C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Cl)OCC2=CC=CC=C2C

InChI

InChI=1S/C21H22ClNO5/c1-4-27-19-11-15(10-18(21(25)26)23-14(3)24)9-17(22)20(19)28-12-16-8-6-5-7-13(16)2/h5-11H,4,12H2,1-3H3,(H,23,24)(H,25,26)/b18-10+