4-[2-[2-(3-morpholin-4-ylpropoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[2-(3-morpholin-4-ylpropoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[2-(3-morpholinopropoxy)-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[2-[3-(4-morpholinyl)propoxy]-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[2-(3-morpholin-4-ylpropoxy)-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[2-(3-morpholinopropoxy)-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C=CC(=C1)C2=CC=CS2)OCCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C=C(C1=C(C=CC(=C1)C2=CC=CS2)OCCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H27NO5S/c1-19(26(29)20-5-7-21(8-6-20)27(30)31)23-18-22(25-4-2-17-34-25)9-10-24(23)33-14-3-11-28-12-15-32-16-13-28/h2,4-10,17-18H,1,3,11-16H2,(H,30,31)