3-(2,3-dihydro-1-benzofuran-6-yl)-4-[4-[3-oxidanyl-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-1-ynyl]pyrazol-1-yl]butanoic acid

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-6-yl)-4-[4-[3-oxidanyl-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-1-ynyl]pyrazol-1-yl]butanoic acid Openeye Name: 3-(2,3-dihydrobenzofuran-6-yl)-4-[4-[3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-1-ynyl]pyrazol-1-yl]butanoic acid CAS Name: 3-(2,3-dihydrobenzofuran-6-yl)-4-[4-[3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-1-ynyl]-1-pyrazolyl]butanoic acid IUPAC Name: 3-(2,3-dihydro-1-benzofuran-6-yl)-4-[4-[3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-1-ynyl]pyrazol-1-yl]butanoic acid Traditional Name: 3-coumaran-6-yl-4-[4-[3-hydroxy-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-1-ynyl]pyrazol-1-yl]butyric acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)C(C#CC3=CN(N=C3)CC(CC(=O)O)C4=CC5=C(CCO5)C=C4)O

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)C(C#CC3=CN(N=C3)CC(CC(=O)O)C4=CC5=C(CCO5)C=C4)O

InChI

InChI=1S/C26H26N4O4/c31-23(22-7-6-19-2-1-10-27-26(19)29-22)8-3-17-14-28-30(15-17)16-21(13-25(32)33)20-5-4-18-9-11-34-24(18)12-20/h4-7,12,14-15,21,23,31H,1-2,9-11,13,16H2,(H,27,29)(H,32,33)