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

Systemtic Name: 4-azanyl-2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-4-oxidanylidene-butanoate Openeye Name: 4-amino-2-[[3-(4-ethoxyphenyl)-3-oxo-propyl]ammonio]-4-oxo-butanoate CAS Name: 4-amino-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]ammonio]-4-oxobutanoate IUPAC Name: 4-amino-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]-4-oxobutanoate Traditional Name: 4-amino-4-keto-2-[(3-keto-3-p-phenetyl-propyl)ammonio]butyrate Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-2-22-11-5-3-10(4-6-11)13(18)7-8-17-12(15(20)21)9-14(16)19/h3-6,12,17H,2,7-9H2,1H3,(H2,16,19)(H,20,21)