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

Systemtic Name: 8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-6-oxidanyl-2-pyrrol-1-yl-oct-4-ynoic acid Openeye Name: 6-hydroxy-8-(5-methyl-2-phenyl-oxazol-4-yl)-2-pyrrol-1-yl-oct-4-ynoic acid CAS Name: 6-hydroxy-8-(5-methyl-2-phenyl-4-oxazolyl)-2-(1-pyrrolyl)-4-octynoic acid IUPAC Name: 6-hydroxy-8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-pyrrol-1-yloct-4-ynoic acid Traditional Name: 6-hydroxy-8-(5-methyl-2-phenyl-oxazol-4-yl)-2-pyrrol-1-yl-oct-4-ynoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-16-19(23-21(28-16)17-8-3-2-4-9-17)13-12-18(25)10-7-11-20(22(26)27)24-14-5-6-15-24/h2-6,8-9,14-15,18,20,25H,11-13H2,1H3,(H,26,27)