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

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

C1COCCN1CCCOC2=C(C=C(C=C2)C3=CC=CS3)C=CC(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCN1CCCOC2=C(C=C(C=C2)C3=CC=CS3)/C=C/C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H27NO5S/c29-24(20-4-6-21(7-5-20)27(30)31)10-8-22-19-23(26-3-1-18-34-26)9-11-25(22)33-15-2-12-28-13-16-32-17-14-28/h1,3-11,18-19H,2,12-17H2,(H,30,31)/b10-8+