sodium 5-[2-azanyl-2-oxidanylidene-1-[4-(3-phenylphenoxy)phenyl]ethoxy]pentanoic acid

Systemtic Name: sodium 5-[2-azanyl-2-oxidanylidene-1-[4-(3-phenylphenoxy)phenyl]ethoxy]pentanoic acid Openeye Name: sodium 5-[2-amino-2-oxo-1-[4-(3-phenylphenoxy)phenyl]ethoxy]pentanoic acid CAS Name: sodium 5-[2-amino-2-oxo-1-[4-(3-phenylphenoxy)phenyl]ethoxy]pentanoic acid IUPAC Name: sodium 5-[2-amino-2-oxo-1-[4-(3-phenylphenoxy)phenyl]ethoxy]pentanoic acid Traditional Name: sodium 5-[2-amino-2-keto-1-[4-(3-phenylphenoxy)phenyl]ethoxy]valeric acid Formula: C25H25NNaO5+ MolecularWeight: 442.45947

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)OC3=CC=C(C=C3)C(C(=O)N)OCCCCC(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)OC3=CC=C(C=C3)C(C(=O)N)OCCCCC(=O)O.[Na+]

InChI

InChI=1S/C25H25NO5.Na/c26-25(29)24(30-16-5-4-11-23(27)28)19-12-14-21(15-13-19)31-22-10-6-9-20(17-22)18-7-2-1-3-8-18;/h1-3,6-10,12-15,17,24H,4-5,11,16H2,(H2,26,29)(H,27,28);/q;+1