4-methoxy-3-[[(E)-3-[4-(1-phenylethoxy)phenyl]but-2-enoyl]amino]benzoic acid

Systemtic Name: 4-methoxy-3-[[(E)-3-[4-(1-phenylethoxy)phenyl]but-2-enoyl]amino]benzoic acid Openeye Name: 4-methoxy-3-[[(E)-3-[4-(1-phenylethoxy)phenyl]but-2-enoyl]amino]benzoic acid CAS Name: 4-methoxy-3-[[(E)-1-oxo-3-[4-(1-phenylethoxy)phenyl]but-2-enyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[[(E)-3-[4-(1-phenylethoxy)phenyl]but-2-enoyl]amino]benzoic acid Traditional Name: 4-methoxy-3-[[(E)-3-[4-(1-phenylethoxy)phenyl]but-2-enoyl]amino]benzoic acid Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(=CC(=O)NC3=C(C=CC(=C3)C(=O)O)OC)C

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=CC=C(C=C2)/C(=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)OC)/C

InChI

InChI=1S/C26H25NO5/c1-17(15-25(28)27-23-16-21(26(29)30)11-14-24(23)31-3)19-9-12-22(13-10-19)32-18(2)20-7-5-4-6-8-20/h4-16,18H,1-3H3,(H,27,28)(H,29,30)/b17-15+