2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-propyl]azaniumyl]ethanoate

Systemtic Name: 2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-propyl]azaniumyl]ethanoate Openeye Name: 2-[[3-(4-isopentyloxyphenyl)-3-oxo-propyl]ammonio]acetate CAS Name: 2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]ammonio]acetate IUPAC Name: 2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]azaniumyl]acetate Traditional Name: 2-[[3-(4-isoamoxyphenyl)-3-keto-propyl]ammonio]acetate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)CC[NH2+]CC(=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)CC[NH2+]CC(=O)[O-]

InChI

InChI=1S/C16H23NO4/c1-12(2)8-10-21-14-5-3-13(4-6-14)15(18)7-9-17-11-16(19)20/h3-6,12,17H,7-11H2,1-2H3,(H,19,20)