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

Systemtic Name: 2-azanyl-3-[(2E)-2-[(3-oxidanylidene-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[(2E)-2-[(3-isopropoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylene]indol-3-yl]propanoic acid CAS Name: 2-amino-3-[(2E)-2-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[(2E)-2-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[(2E)-2-[(3-isopropoxy-5-keto-3-pyrazolin-4-yl)methylene]indol-3-yl]propionic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)NN1)C=C2C(=C3C=CC=CC3=N2)CC(C(=O)O)N

Isomeric SMILES

CC(C)OC1=C(C(=O)NN1)/C=C/2\C(=C3C=CC=CC3=N2)CC(C(=O)O)N

InChI

InChI=1S/C18H20N4O4/c1-9(2)26-17-12(16(23)21-22-17)8-15-11(7-13(19)18(24)25)10-5-3-4-6-14(10)20-15/h3-6,8-9,13H,7,19H2,1-2H3,(H,24,25)(H2,21,22,23)/b15-8+