2-[4-[methanoyl-[1-oxidanylidene-1-(pentylamino)propan-2-yl]amino]phenoxy]propanedioic acid

Systemtic Name: 2-[4-[methanoyl-[1-oxidanylidene-1-(pentylamino)propan-2-yl]amino]phenoxy]propanedioic acid Openeye Name: 2-[4-[formyl-[1-methyl-2-oxo-2-(pentylamino)ethyl]amino]phenoxy]propanedioic acid CAS Name: 2-[4-[formyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]phenoxy]propanedioic acid IUPAC Name: 2-[4-[formyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]phenoxy]propanedioic acid Traditional Name: 2-[4-[[2-(amylamino)-2-keto-1-methyl-ethyl]-formyl-amino]phenoxy]malonic acid Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)N(C=O)C1=CC=C(C=C1)OC(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCNC(=O)C(C)N(C=O)C1=CC=C(C=C1)OC(C(=O)O)C(=O)O

InChI

InChI=1S/C18H24N2O7/c1-3-4-5-10-19-16(22)12(2)20(11-21)13-6-8-14(9-7-13)27-15(17(23)24)18(25)26/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,19,22)(H,23,24)(H,25,26)