4-[4-(2-methylpentanoylamino)phenoxy]phthalic acid

Systemtic Name: 4-[4-(2-methylpentanoylamino)phenoxy]phthalic acid Openeye Name: 4-[4-(2-methylpentanoylamino)phenoxy]phthalic acid CAS Name: 4-[4-[(2-methyl-1-oxopentyl)amino]phenoxy]phthalic acid IUPAC Name: 4-[4-(2-methylpentanoylamino)phenoxy]phthalic acid Traditional Name: 4-[4-(2-methylpentanoylamino)phenoxy]phthalic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=CC=C(C=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(C)C(=O)NC1=CC=C(C=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H21NO6/c1-3-4-12(2)18(22)21-13-5-7-14(8-6-13)27-15-9-10-16(19(23)24)17(11-15)20(25)26/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)