6-[2-[(2-acetamido-3-methyl-pentanoyl)amino]ethyl]-2,3-diethoxy-benzoic acid

Systemtic Name: 6-[2-[(2-acetamido-3-methyl-pentanoyl)amino]ethyl]-2,3-diethoxy-benzoic acid Openeye Name: 6-[2-[(2-acetamido-3-methyl-pentanoyl)amino]ethyl]-2,3-diethoxy-benzoic acid CAS Name: 6-[2-[(2-acetamido-3-methyl-1-oxopentyl)amino]ethyl]-2,3-diethoxybenzoic acid IUPAC Name: 6-[2-[(2-acetamido-3-methylpentanoyl)amino]ethyl]-2,3-diethoxybenzoic acid Traditional Name: 6-[2-[(2-acetamido-3-methyl-pentanoyl)amino]ethyl]-2,3-diethoxy-benzoic acid Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=C(C(=C(C=C1)OCC)OCC)C(=O)O)NC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)NCCC1=C(C(=C(C=C1)OCC)OCC)C(=O)O)NC(=O)C

InChI

InChI=1S/C21H32N2O6/c1-6-13(4)18(23-14(5)24)20(25)22-12-11-15-9-10-16(28-7-2)19(29-8-3)17(15)21(26)27/h9-10,13,18H,6-8,11-12H2,1-5H3,(H,22,25)(H,23,24)(H,26,27)