(E)-2-benzamido-3-(3-chloranyl-5-methoxy-4-phenethyloxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(3-chloranyl-5-methoxy-4-phenethyloxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(3-chloro-5-methoxy-4-phenethyloxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(3-chloro-5-methoxy-4-phenethyloxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(3-chloro-5-methoxy-4-phenethyloxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(3-chloro-5-methoxy-4-phenethyloxy-phenyl)acrylic acid Formula: C25H22ClNO5 MolecularWeight: 451.89888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)Cl)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Cl)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H22ClNO5/c1-31-22-16-18(14-20(26)23(22)32-13-12-17-8-4-2-5-9-17)15-21(25(29)30)27-24(28)19-10-6-3-7-11-19/h2-11,14-16H,12-13H2,1H3,(H,27,28)(H,29,30)/b21-15+