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

Systemtic Name: 2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-propyl]azaniumyl]propanoate Openeye Name: 2-[[3-(4-isopentyloxyphenyl)-3-oxo-propyl]ammonio]propanoate CAS Name: 2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]ammonio]propanoate IUPAC Name: 2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]azaniumyl]propanoate Traditional Name: 2-[[3-(4-isoamoxyphenyl)-3-keto-propyl]ammonio]propionate Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-12(2)9-11-22-15-6-4-14(5-7-15)16(19)8-10-18-13(3)17(20)21/h4-7,12-13,18H,8-11H2,1-3H3,(H,20,21)