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

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-methyl-butanoate Openeye Name: 2-[[3-(4-ethoxyphenyl)-3-oxo-propyl]ammonio]-3-methyl-butanoate CAS Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]ammonio]-3-methylbutanoate IUPAC Name: 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]-3-methylbutanoate Traditional Name: 2-[(3-keto-3-p-phenetyl-propyl)ammonio]-3-methyl-butyrate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-4-21-13-7-5-12(6-8-13)14(18)9-10-17-15(11(2)3)16(19)20/h5-8,11,15,17H,4,9-10H2,1-3H3,(H,19,20)