(3R)-3-[[(3S)-3-oxidanyl-3-(4-propoxyphenyl)propyl]azaniumyl]-3-phenyl-propanoate

Systemtic Name: (3R)-3-[[(3S)-3-oxidanyl-3-(4-propoxyphenyl)propyl]azaniumyl]-3-phenyl-propanoate Openeye Name: (3R)-3-[[(3S)-3-hydroxy-3-(4-propoxyphenyl)propyl]ammonio]-3-phenyl-propanoate CAS Name: (3R)-3-[[(3S)-3-hydroxy-3-(4-propoxyphenyl)propyl]ammonio]-3-phenylpropanoate IUPAC Name: (3R)-3-[[(3S)-3-hydroxy-3-(4-propoxyphenyl)propyl]azaniumyl]-3-phenylpropanoate Traditional Name: (3R)-3-[[(3S)-3-hydroxy-3-(4-propoxyphenyl)propyl]ammonio]-3-phenyl-propionate Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC[NH2+]C(CC(=O)[O-])C2=CC=CC=C2)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](CC[NH2+][C@H](CC(=O)[O-])C2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO4/c1-2-14-26-18-10-8-17(9-11-18)20(23)12-13-22-19(15-21(24)25)16-6-4-3-5-7-16/h3-11,19-20,22-23H,2,12-15H2,1H3,(H,24,25)/t19-,20+/m1/s1