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

Systemtic Name: 2-methoxy-5-[[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(E)-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[(E)-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]methyl]benzoic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

InChI

InChI=1S/C22H25NO6/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/h5-10,12-13H,4,11,14H2,1-3H3,(H,23,24)(H,25,26)/b10-7+