(2R)-2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2R)-2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2R)-2-[[3-(4-ethoxyphenyl)-3-oxo-propyl]ammonio]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2R)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]ammonio]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2R)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2R)-3-(1H-imidazol-5-yl)-2-[(3-keto-3-p-phenetyl-propyl)ammonio]propionate Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CC[NH2+][C@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C17H21N3O4/c1-2-24-14-5-3-12(4-6-14)16(21)7-8-19-15(17(22)23)9-13-10-18-11-20-13/h3-6,10-11,15,19H,2,7-9H2,1H3,(H,18,20)(H,22,23)/t15-/m1/s1