2-[[3-[(2-carboxy-4-methyl-phenyl)carbonylamino]propylamino]oxymethyl]-5-methyl-benzoic acid

Systemtic Name: 2-[[3-[(2-carboxy-4-methyl-phenyl)carbonylamino]propylamino]oxymethyl]-5-methyl-benzoic acid Openeye Name: 2-[[3-[(2-carboxy-4-methyl-benzoyl)amino]propylamino]oxymethyl]-5-methyl-benzoic acid CAS Name: 2-[[3-[[(2-carboxy-4-methylphenyl)-oxomethyl]amino]propylamino]oxymethyl]-5-methylbenzoic acid IUPAC Name: 2-[[3-[(2-carboxy-4-methylbenzoyl)amino]propylamino]oxymethyl]-5-methylbenzoic acid Traditional Name: 2-[[3-[(2-carboxy-4-methyl-benzoyl)amino]propylamino]oxymethyl]-5-methyl-benzoic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CONCCCNC(=O)C2=C(C=C(C=C2)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)CONCCCNC(=O)C2=C(C=C(C=C2)C)C(=O)O)C(=O)O

InChI

InChI=1S/C21H24N2O6/c1-13-4-6-15(17(10-13)20(25)26)12-29-23-9-3-8-22-19(24)16-7-5-14(2)11-18(16)21(27)28/h4-7,10-11,23H,3,8-9,12H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)