4-[2-oxidanyl-3-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-oxidanyl-3-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-hydroxy-3-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid CAS Name: 4-[2-hydroxy-3-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-hydroxy-3-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-hydroxy-3-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C21H23N3O5/c25-16(13-23-8-10-24(11-9-23)21(26)27)14-28-17-6-7-19-18(12-17)22-20(29-19)15-4-2-1-3-5-15/h1-7,12,16,25H,8-11,13-14H2,(H,26,27)