2-[[3,4-bis(oxidanylidene)-2-(pyridin-3-ylmethylamino)cyclobuten-1-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3,4-bis(oxidanylidene)-2-(pyridin-3-ylmethylamino)cyclobuten-1-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3,4-dioxo-2-(3-pyridylmethylamino)cyclobuten-1-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3,4-dioxo-2-(3-pyridinylmethylamino)-1-cyclobutenyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3,4-dioxo-2-(pyridin-3-ylmethylamino)cyclobuten-1-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3,4-diketo-2-(3-pyridylmethylamino)cyclobuten-1-yl]amino]-3-phenyl-propionic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C(=O)C2=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C(=O)C2=O)NCC3=CN=CC=C3

InChI

InChI=1S/C19H17N3O4/c23-17-15(21-11-13-7-4-8-20-10-13)16(18(17)24)22-14(19(25)26)9-12-5-2-1-3-6-12/h1-8,10,14,21-22H,9,11H2,(H,25,26)