(E)-8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-pyrrol-1-yl-oct-6-en-4-ynoic acid

Systemtic Name: (E)-8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-pyrrol-1-yl-oct-6-en-4-ynoic acid Openeye Name: (E)-8-(5-methyl-2-phenyl-oxazol-4-yl)-2-pyrrol-1-yl-oct-6-en-4-ynoic acid CAS Name: (E)-8-(5-methyl-2-phenyl-4-oxazolyl)-2-(1-pyrrolyl)oct-6-en-4-ynoic acid IUPAC Name: (E)-8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-pyrrol-1-yloct-6-en-4-ynoic acid Traditional Name: (E)-8-(5-methyl-2-phenyl-oxazol-4-yl)-2-pyrrol-1-yl-oct-6-en-4-ynoic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CC=CC#CCC(C(=O)O)N3C=CC=C3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C/C=C/C#CCC(C(=O)O)N3C=CC=C3

InChI

InChI=1S/C22H20N2O3/c1-17-19(23-21(27-17)18-11-5-4-6-12-18)13-7-2-3-8-14-20(22(25)26)24-15-9-10-16-24/h2,4-7,9-12,15-16,20H,13-14H2,1H3,(H,25,26)/b7-2+