2-[[3-(4-butoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: 2-[[3-(4-butoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-butanoate Openeye Name: 2-[[3-(4-butoxyphenyl)-3-oxo-propyl]ammonio]-3-hydroxy-butanoate CAS Name: 2-[[3-(4-butoxyphenyl)-3-oxopropyl]ammonio]-3-hydroxybutanoate IUPAC Name: 2-[[3-(4-butoxyphenyl)-3-oxopropyl]azaniumyl]-3-hydroxybutanoate Traditional Name: 2-[[3-(4-butoxyphenyl)-3-keto-propyl]ammonio]-3-hydroxy-butyrate Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(C(C)O)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(C(C)O)C(=O)[O-]

InChI

InChI=1S/C17H25NO5/c1-3-4-11-23-14-7-5-13(6-8-14)15(20)9-10-18-16(12(2)19)17(21)22/h5-8,12,16,18-19H,3-4,9-11H2,1-2H3,(H,21,22)