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

Systemtic Name: (2R)-2-[[3-(4-ethoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[[3-(4-ethoxyphenyl)-3-oxo-propyl]ammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]ammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(3-keto-3-p-phenetyl-propyl)ammonio]-3-phenyl-propionate Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CC[NH2+][C@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H23NO4/c1-2-25-17-10-8-16(9-11-17)19(22)12-13-21-18(20(23)24)14-15-6-4-3-5-7-15/h3-11,18,21H,2,12-14H2,1H3,(H,23,24)/t18-/m1/s1