2-[4-(furan-2-ylmethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-phenylazanyl-pentanoic acid

Systemtic Name: 2-[4-(furan-2-ylmethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-phenylazanyl-pentanoic acid Openeye Name: 5-anilino-2-[4-(2-furylmethylamino)-1,3-dioxo-isoindolin-2-yl]-5-oxo-pentanoic acid CAS Name: 5-anilino-2-[4-(2-furanylmethylamino)-1,3-dioxo-2-isoindolyl]-5-oxopentanoic acid IUPAC Name: 5-anilino-2-[4-(furan-2-ylmethylamino)-1,3-dioxoisoindol-2-yl]-5-oxopentanoic acid Traditional Name: 5-anilino-2-[4-(2-furfurylamino)-1,3-diketo-isoindolin-2-yl]-5-keto-valeric acid Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(C(=O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(C(=O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)NCC4=CC=CO4

InChI

InChI=1S/C24H21N3O6/c28-20(26-15-6-2-1-3-7-15)12-11-19(24(31)32)27-22(29)17-9-4-10-18(21(17)23(27)30)25-14-16-8-5-13-33-16/h1-10,13,19,25H,11-12,14H2,(H,26,28)(H,31,32)