(2R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2R)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2R)-3-(4-hydroxyphenyl)-2-(piperonyloylamino)propionate Formula: C17H14NO6- MolecularWeight: 328.29616

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C17H15NO6/c19-12-4-1-10(2-5-12)7-13(17(21)22)18-16(20)11-3-6-14-15(8-11)24-9-23-14/h1-6,8,13,19H,7,9H2,(H,18,20)(H,21,22)/p-1/t13-/m1/s1