2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-methyl-pentanoate

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-methyl-pentanoate Openeye Name: 2-[[3-(4-ethoxyphenyl)-3-oxo-propyl]ammonio]-3-methyl-pentanoate CAS Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]ammonio]-3-methylpentanoate IUPAC Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]-3-methylpentanoate Traditional Name: 2-[(3-keto-3-p-phenetyl-propyl)ammonio]-3-methyl-valerate Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-4-12(3)16(17(20)21)18-11-10-15(19)13-6-8-14(9-7-13)22-5-2/h6-9,12,16,18H,4-5,10-11H2,1-3H3,(H,20,21)