3-(1H-imidazol-5-yl)-2-[[(E)-3-(4-phenoxyphenyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[(E)-3-(4-phenoxyphenyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[(E)-3-(4-phenoxyphenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[(E)-1-oxo-3-(4-phenoxyphenyl)prop-2-enyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[(E)-3-(4-phenoxyphenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[[(E)-3-(4-phenoxyphenyl)acryloyl]amino]propionic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C=CC(=O)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)/C=C/C(=O)NC(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C21H19N3O4/c25-20(24-19(21(26)27)12-16-13-22-14-23-16)11-8-15-6-9-18(10-7-15)28-17-4-2-1-3-5-17/h1-11,13-14,19H,12H2,(H,22,23)(H,24,25)(H,26,27)/b11-8+