2-azanyl-3-[(2E)-2-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2E)-2-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[(2E)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylene]indol-3-yl]propanoic acid CAS Name: 2-amino-3-[(2E)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[(2E)-2-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[(2E)-2-[(3-keto-5-phenethyl-3-pyrazolin-4-yl)methylene]indol-3-yl]propionic acid Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=O)NN2)C=C3C(=C4C=CC=CC4=N3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=O)NN2)/C=C/3\C(=C4C=CC=CC4=N3)CC(C(=O)O)N

InChI

InChI=1S/C23H22N4O3/c24-18(23(29)30)12-16-15-8-4-5-9-19(15)25-21(16)13-17-20(26-27-22(17)28)11-10-14-6-2-1-3-7-14/h1-9,13,18H,10-12,24H2,(H,29,30)(H2,26,27,28)/b21-13+