(E)-2-acetamido-3-(3-methoxy-4-phenethyloxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-methoxy-4-phenethyloxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-methoxy-4-phenethyloxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-methoxy-4-phenethyloxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-methoxy-4-phenethyloxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-methoxy-4-phenethyloxy-phenyl)acrylic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC)/C(=O)O

InChI

InChI=1S/C20H21NO5/c1-14(22)21-17(20(23)24)12-16-8-9-18(19(13-16)25-2)26-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,22)(H,23,24)/b17-12+