(2R)-2-[[(E)-1-(3-methoxy-4-propan-2-yloxy-phenyl)-3-oxidanylidene-prop-1-en-2-yl]azaniumyl]propanoate

Systemtic Name: (2R)-2-[[(E)-1-(3-methoxy-4-propan-2-yloxy-phenyl)-3-oxidanylidene-prop-1-en-2-yl]azaniumyl]propanoate Openeye Name: (2R)-2-[[(E)-1-formyl-2-(4-isopropoxy-3-methoxy-phenyl)vinyl]ammonio]propanoate CAS Name: (2R)-2-[[(E)-1-(3-methoxy-4-propan-2-yloxyphenyl)-3-oxoprop-1-en-2-yl]ammonio]propanoate IUPAC Name: (2R)-2-[[(E)-1-(3-methoxy-4-propan-2-yloxyphenyl)-3-oxoprop-1-en-2-yl]azaniumyl]propanoate Traditional Name: (2R)-2-[[(E)-1-formyl-2-(4-isopropoxy-3-methoxy-phenyl)vinyl]ammonio]propionate Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C(C=O)[NH2+]C(C)C(=O)[O-])OC

Isomeric SMILES

C[C@H](C(=O)[O-])[NH2+]/C(=C/C1=CC(=C(C=C1)OC(C)C)OC)/C=O

InChI

InChI=1S/C16H21NO5/c1-10(2)22-14-6-5-12(8-15(14)21-4)7-13(9-18)17-11(3)16(19)20/h5-11,17H,1-4H3,(H,19,20)/b13-7+/t11-/m1/s1