(2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(E)-3-(3-phenoxyphenyl)allyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(E)-3-(3-phenoxyphenyl)allyl]amino]glutaric acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=CCNC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C/CN[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H21NO5/c22-19(23)12-11-18(20(24)25)21-13-5-7-15-6-4-10-17(14-15)26-16-8-2-1-3-9-16/h1-10,14,18,21H,11-13H2,(H,22,23)(H,24,25)/b7-5+/t18-/m0/s1