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

Systemtic Name: 2-acetamido-3-[4-[(4-bromophenyl)methoxy]-3-chloranyl-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: 2-acetamido-3-[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxy-phenyl]prop-2-enoic acid CAS Name: 2-acetamido-3-[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]-2-propenoic acid IUPAC Name: 2-acetamido-3-[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]prop-2-enoic acid Traditional Name: 2-acetamido-3-[4-(4-bromobenzyl)oxy-3-chloro-5-methoxy-phenyl]acrylic acid Formula: C19H17BrClNO5 MolecularWeight: 454.69898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrClNO5/c1-11(23)22-16(19(24)25)8-13-7-15(21)18(17(9-13)26-2)27-10-12-3-5-14(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)(H,24,25)