(2S)-3-(5-cyano-1H-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(5-cyano-1H-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(5-cyano-1H-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid CAS Name: (2S)-3-(5-cyano-1H-indol-3-yl)-2-[[oxo-(2-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-cyano-1H-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(5-cyano-1H-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propionic acid Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)NC(CC3=CNC4=C3C=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)N[C@@H](CC3=CNC4=C3C=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C25H19N3O4/c26-14-16-10-11-21-20(12-16)17(15-27-21)13-22(25(30)31)28-24(29)19-8-4-5-9-23(19)32-18-6-2-1-3-7-18/h1-12,15,22,27H,13H2,(H,28,29)(H,30,31)/t22-/m0/s1