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

Systemtic Name: 2-[[4-[(2-carboxy-4-methyl-phenyl)carbonylamino]butylamino]oxymethyl]-5-methyl-benzoic acid Openeye Name: 2-[[4-[(2-carboxy-4-methyl-benzoyl)amino]butylamino]oxymethyl]-5-methyl-benzoic acid CAS Name: 2-[[4-[[(2-carboxy-4-methylphenyl)-oxomethyl]amino]butylamino]oxymethyl]-5-methylbenzoic acid IUPAC Name: 2-[[4-[(2-carboxy-4-methylbenzoyl)amino]butylamino]oxymethyl]-5-methylbenzoic acid Traditional Name: 2-[[4-[(2-carboxy-4-methyl-benzoyl)amino]butylamino]oxymethyl]-5-methyl-benzoic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-14-5-7-16(18(11-14)21(26)27)13-30-24-10-4-3-9-23-20(25)17-8-6-15(2)12-19(17)22(28)29/h5-8,11-12,24H,3-4,9-10,13H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)