2-[2,3-bis(oxidanylidene)butyl-[(4-phenylazanylfuran-3-yl)methyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)butyl-[(4-phenylazanylfuran-3-yl)methyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[(4-anilino-3-furyl)methyl-(2,3-dioxobutyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[(4-anilino-3-furanyl)methyl-(2,3-dioxobutyl)amino]-4-methylpentanoic acid IUPAC Name: 2-[(4-anilinofuran-3-yl)methyl-(2,3-dioxobutyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(4-anilino-3-furyl)methyl-(2,3-diketobutyl)amino]-4-methyl-valeric acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CC1=COC=C1NC2=CC=CC=C2)CC(=O)C(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)N(CC1=COC=C1NC2=CC=CC=C2)CC(=O)C(=O)C

InChI

InChI=1S/C21H26N2O5/c1-14(2)9-19(21(26)27)23(11-20(25)15(3)24)10-16-12-28-13-18(16)22-17-7-5-4-6-8-17/h4-8,12-14,19,22H,9-11H2,1-3H3,(H,26,27)