(2S)-2-[(E)-3-(4-aminophenyl)-2-benzamido-prop-2-enoyl]oxy-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamido-prop-2-enoyl]oxy-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamido-prop-2-enoyl]oxy-3-phenyl-propanoic acid CAS Name: (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamido-1-oxoprop-2-enoxy]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamidoprop-2-enoyl]oxy-3-phenylpropanoic acid Traditional Name: (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamido-acryloyl]oxy-3-phenyl-propionic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC(=O)C(=CC2=CC=C(C=C2)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O5/c26-20-13-11-18(12-14-20)15-21(27-23(28)19-9-5-2-6-10-19)25(31)32-22(24(29)30)16-17-7-3-1-4-8-17/h1-15,22H,16,26H2,(H,27,28)(H,29,30)/b21-15+/t22-/m0/s1