2-methoxy-5-[[[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 5-[[[(E)-3-(4-allyloxyphenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[[[(E)-1-oxo-3-(4-prop-2-enoxyphenyl)prop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 5-[[[(E)-3-(4-allyloxyphenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C=CC2=CC=C(C=C2)OCC=C)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)OCC=C)C(=O)O

InChI

InChI=1S/C21H21NO5/c1-3-12-27-17-8-4-15(5-9-17)7-11-20(23)22-14-16-6-10-19(26-2)18(13-16)21(24)25/h3-11,13H,1,12,14H2,2H3,(H,22,23)(H,24,25)/b11-7+