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

Systemtic Name: 2-methoxy-5-[[[(E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 5-[[[(E)-3-(4-allyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 5-[[[(E)-3-(4-allyloxy-3-methoxy-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C22H23NO6 MolecularWeight: 397.42112

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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)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6/c1-4-11-29-19-9-5-15(13-20(19)28-3)7-10-21(24)23-14-16-6-8-18(27-2)17(12-16)22(25)26/h4-10,12-13H,1,11,14H2,2-3H3,(H,23,24)(H,25,26)/b10-7+