(2S)-2-[[(E)-4-oxidanylidene-4-phenyl-but-2-en-2-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(E)-4-oxidanylidene-4-phenyl-but-2-en-2-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: (2S)-3-(4-benzyloxyphenyl)-2-[[(E)-1-methyl-3-oxo-3-phenyl-prop-1-enyl]amino]propanoic acid CAS Name: (2S)-2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[[(E)-3-keto-1-methyl-3-phenyl-prop-1-enyl]amino]propionic acid Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC=CC=C1)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)C1=CC=CC=C1)/N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H25NO4/c1-19(16-25(28)22-10-6-3-7-11-22)27-24(26(29)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-16,24,27H,17-18H2,1H3,(H,29,30)/b19-16+/t24-/m0/s1