3-(5-oxidanyl-1H-indol-3-yl)-2-(quinolin-3-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(5-oxidanyl-1H-indol-3-yl)-2-(quinolin-3-ylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-(3-quinolylmethoxycarbonylamino)propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[oxo(3-quinolinylmethoxy)methyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-(quinolin-3-ylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-(3-quinolylmethoxycarbonylamino)propionic acid Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)COC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)COC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C22H19N3O5/c26-16-5-6-19-17(9-16)15(11-24-19)8-20(21(27)28)25-22(29)30-12-13-7-14-3-1-2-4-18(14)23-10-13/h1-7,9-11,20,24,26H,8,12H2,(H,25,29)(H,27,28)