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

Systemtic Name: (3R)-3-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-phenyl-propanoate Openeye Name: (3R)-3-[[3-(4-methoxyphenyl)-3-oxo-propyl]ammonio]-3-phenyl-propanoate CAS Name: (3R)-3-[[3-(4-methoxyphenyl)-3-oxopropyl]ammonio]-3-phenylpropanoate IUPAC Name: (3R)-3-[[3-(4-methoxyphenyl)-3-oxopropyl]azaniumyl]-3-phenylpropanoate Traditional Name: (3R)-3-[[3-keto-3-(4-methoxyphenyl)propyl]ammonio]-3-phenyl-propionate Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC[NH2+][C@H](CC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C19H21NO4/c1-24-16-9-7-15(8-10-16)18(21)11-12-20-17(13-19(22)23)14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3,(H,22,23)/t17-/m1/s1