(2S,3R)-3-(3-chloranyl-4-prop-2-enoxy-phenyl)-3-oxidanyl-2-(prop-2-enoxycarbonylamino)propanoic acid

Systemtic Name: (2S,3R)-3-(3-chloranyl-4-prop-2-enoxy-phenyl)-3-oxidanyl-2-(prop-2-enoxycarbonylamino)propanoic acid Openeye Name: (2S,3R)-2-(allyloxycarbonylamino)-3-(4-allyloxy-3-chloro-phenyl)-3-hydroxy-propanoic acid CAS Name: (2S,3R)-3-(3-chloro-4-prop-2-enoxyphenyl)-3-hydroxy-2-[[oxo(prop-2-enoxy)methyl]amino]propanoic acid IUPAC Name: (2S,3R)-3-(3-chloro-4-prop-2-enoxyphenyl)-3-hydroxy-2-(prop-2-enoxycarbonylamino)propanoic acid Traditional Name: (2S,3R)-2-(allyloxycarbonylamino)-3-(4-allyloxy-3-chloro-phenyl)-3-hydroxy-propionic acid Formula: C16H18ClNO6 MolecularWeight: 355.77022

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)C(C(C(=O)O)NC(=O)OCC=C)O)Cl

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)[C@H]([C@@H](C(=O)O)NC(=O)OCC=C)O)Cl

InChI

InChI=1S/C16H18ClNO6/c1-3-7-23-12-6-5-10(9-11(12)17)14(19)13(15(20)21)18-16(22)24-8-4-2/h3-6,9,13-14,19H,1-2,7-8H2,(H,18,22)(H,20,21)/t13-,14+/m0/s1