ethyl 4-[4-(1,3-benzoxazol-2-yl)-2-oxidanyl-phenoxy]-3-oxidanyl-pentanoate

Systemtic Name: ethyl 4-[4-(1,3-benzoxazol-2-yl)-2-oxidanyl-phenoxy]-3-oxidanyl-pentanoate Openeye Name: ethyl 4-[4-(1,3-benzoxazol-2-yl)-2-hydroxy-phenoxy]-3-hydroxy-pentanoate CAS Name: 4-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenoxy]-3-hydroxypentanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenoxy]-3-hydroxypentanoate Traditional Name: 4-[4-(1,3-benzoxazol-2-yl)-2-hydroxy-phenoxy]-3-hydroxy-valeric acid ethyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)OC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)O)O

Isomeric SMILES

CCOC(=O)CC(C(C)OC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)O)O

InChI

InChI=1S/C20H21NO6/c1-3-25-19(24)11-15(22)12(2)26-18-9-8-13(10-16(18)23)20-21-14-6-4-5-7-17(14)27-20/h4-10,12,15,22-23H,3,11H2,1-2H3