2-[[2-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-3-methyl-pentanoyl]-(1-methyl-2-benzofuran-5-yl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-3-methyl-pentanoyl]-(1-methyl-2-benzofuran-5-yl)amino]ethanoic acid Openeye Name: 2-[[2-[(2-ethoxy-1-methyl-2-oxo-ethyl)amino]-3-methyl-pentanoyl]-(1-methylisobenzofuran-5-yl)amino]acetic acid CAS Name: 2-[[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentyl]-(1-methyl-5-isobenzofuranyl)amino]acetic acid IUPAC Name: 2-[[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-3-methylpentanoyl]-(1-methyl-2-benzofuran-5-yl)amino]acetic acid Traditional Name: 2-[[2-[(2-ethoxy-2-keto-1-methyl-ethyl)amino]-3-methyl-pentanoyl]-(1-methylisobenzofuran-5-yl)amino]acetic acid Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CC(=O)O)C1=CC2=COC(=C2C=C1)C)NC(C)C(=O)OCC

Isomeric SMILES

CCC(C)C(C(=O)N(CC(=O)O)C1=CC2=COC(=C2C=C1)C)NC(C)C(=O)OCC

InChI

InChI=1S/C22H30N2O6/c1-6-13(3)20(23-14(4)22(28)29-7-2)21(27)24(11-19(25)26)17-8-9-18-15(5)30-12-16(18)10-17/h8-10,12-14,20,23H,6-7,11H2,1-5H3,(H,25,26)