(3S)-3-azaniumyl-3-(3-methoxy-4-propan-2-yloxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-methoxy-4-propan-2-yloxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-isopropoxy-3-methoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-isopropoxy-3-methoxy-phenyl)propionate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)[C@H](CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C13H19NO4/c1-8(2)18-11-5-4-9(6-12(11)17-3)10(14)7-13(15)16/h4-6,8,10H,7,14H2,1-3H3,(H,15,16)/t10-/m0/s1