4-oxidanylidene-4-(2-phenoxyethoxy)-3-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: 4-oxidanylidene-4-(2-phenoxyethoxy)-3-[(phenylmethyl)azaniumyl]butanoate Openeye Name: 3-(benzylammonio)-4-oxo-4-(2-phenoxyethoxy)butanoate CAS Name: 4-oxo-4-(2-phenoxyethoxy)-3-[(phenylmethyl)ammonio]butanoate IUPAC Name: 3-(benzylazaniumyl)-4-oxo-4-(2-phenoxyethoxy)butanoate Traditional Name: 3-(benzylammonio)-4-keto-4-(2-phenoxyethoxy)butyrate Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)[O-])C(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]C(CC(=O)[O-])C(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C19H21NO5/c21-18(22)13-17(20-14-15-7-3-1-4-8-15)19(23)25-12-11-24-16-9-5-2-6-10-16/h1-10,17,20H,11-14H2,(H,21,22)