4-oxidanyl-4-oxidanylidene-butanoate; 2-(2-phenyl-1,3-benzoxazol-6-yl)propylazanium

Systemtic Name: 4-oxidanyl-4-oxidanylidene-butanoate; 2-(2-phenyl-1,3-benzoxazol-6-yl)propylazanium Openeye Name: 4-hydroxy-4-oxo-butanoate; 2-(2-phenyl-1,3-benzoxazol-6-yl)propylammonium CAS Name: 4-hydroxy-4-oxobutanoate; 2-(2-phenyl-1,3-benzoxazol-6-yl)propylammonium IUPAC Name: 4-hydroxy-4-oxobutanoate; 2-(2-phenyl-1,3-benzoxazol-6-yl)propylazanium Traditional Name: 4-hydroxy-4-keto-butyrate; 2-(2-phenyl-1,3-benzoxazol-6-yl)propylammonium Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH3+])C1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C[NH3+])C1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C16H16N2O.C4H6O4/c1-11(10-17)13-7-8-14-15(9-13)19-16(18-14)12-5-3-2-4-6-12;5-3(6)1-2-4(7)8/h2-9,11H,10,17H2,1H3;1-2H2,(H,5,6)(H,7,8)