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

Systemtic Name: 4-[2-[4-methoxy-2-(3-morpholin-4-ylpropoxy)-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[4-methoxy-2-(3-morpholinopropoxy)-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[4-methoxy-2-[3-(4-morpholinyl)propoxy]-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[4-methoxy-2-(3-morpholin-4-ylpropoxy)-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[4-methoxy-2-(3-morpholinopropoxy)-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C28H29NO6S MolecularWeight: 507.59796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCCCN4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCCCN4CCOCC4

InChI

InChI=1S/C28H29NO6S/c1-19(27(30)20-6-8-21(9-7-20)28(31)32)22-17-23(26-5-3-16-36-26)24(33-2)18-25(22)35-13-4-10-29-11-14-34-15-12-29/h3,5-9,16-18H,1,4,10-15H2,2H3,(H,31,32)