(2S)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylacryloyl]amino]propionate Formula: C20H17N2O3- MolecularWeight: 333.36058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C20H18N2O3/c23-19(11-10-14-6-2-1-3-7-14)22-18(20(24)25)12-15-13-21-17-9-5-4-8-16(15)17/h1-11,13,18,21H,12H2,(H,22,23)(H,24,25)/p-1/b11-10+/t18-/m0/s1