(2S,3R)-2-(phenylmethyl)-3-[(E)-3-phenylprop-2-enyl]butanedioic acid

Systemtic Name: (2S,3R)-2-(phenylmethyl)-3-[(E)-3-phenylprop-2-enyl]butanedioic acid Openeye Name: (2S,3R)-2-benzyl-3-[(E)-cinnamyl]butanedioic acid CAS Name: (2S,3R)-2-(phenylmethyl)-3-[(E)-3-phenylprop-2-enyl]butanedioic acid IUPAC Name: (2S,3R)-2-benzyl-3-[(E)-3-phenylprop-2-enyl]butanedioic acid Traditional Name: (2S,3R)-2-benzyl-3-[(E)-cinnamyl]succinic acid Formula: C20H20O4 MolecularWeight: 324.3704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CC=CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@@H](C/C=C/C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H20O4/c21-19(22)17(13-7-12-15-8-3-1-4-9-15)18(20(23)24)14-16-10-5-2-6-11-16/h1-12,17-18H,13-14H2,(H,21,22)(H,23,24)/b12-7+/t17-,18+/m1/s1