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

Systemtic Name: 2-azanyl-3-[(2E)-2-[(3-cyclopropyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[(2E)-2-[(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)methylene]indol-3-yl]propanoic acid CAS Name: 2-amino-3-[(2E)-2-[(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[(2E)-2-[(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[(2E)-2-[(3-cyclopropyl-5-keto-3-pyrazolin-4-yl)methylene]indol-3-yl]propionic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=O)NN2)C=C3C(=C4C=CC=CC4=N3)CC(C(=O)O)N

Isomeric SMILES

C1CC1C2=C(C(=O)NN2)/C=C/3\C(=C4C=CC=CC4=N3)CC(C(=O)O)N

InChI

InChI=1S/C18H18N4O3/c19-13(18(24)25)7-11-10-3-1-2-4-14(10)20-15(11)8-12-16(9-5-6-9)21-22-17(12)23/h1-4,8-9,13H,5-7,19H2,(H,24,25)(H2,21,22,23)/b15-8+