2-[6-[5-(carboxymethyl)-1H-imidazol-2-yl]hexylcarbamoyl]-5-methyl-benzoic acid

Systemtic Name: 2-[6-[5-(carboxymethyl)-1H-imidazol-2-yl]hexylcarbamoyl]-5-methyl-benzoic acid Openeye Name: 2-[6-[5-(carboxymethyl)-1H-imidazol-2-yl]hexylcarbamoyl]-5-methyl-benzoic acid CAS Name: 2-[[6-[5-(carboxymethyl)-1H-imidazol-2-yl]hexylamino]-oxomethyl]-5-methylbenzoic acid IUPAC Name: 2-[6-[5-(carboxymethyl)-1H-imidazol-2-yl]hexylcarbamoyl]-5-methylbenzoic acid Traditional Name: 2-[6-[5-(carboxymethyl)-1H-imidazol-2-yl]hexylcarbamoyl]-5-methyl-benzoic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NCCCCCCC2=NC=C(N2)CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NCCCCCCC2=NC=C(N2)CC(=O)O)C(=O)O

InChI

InChI=1S/C20H25N3O5/c1-13-7-8-15(16(10-13)20(27)28)19(26)21-9-5-3-2-4-6-17-22-12-14(23-17)11-18(24)25/h7-8,10,12H,2-6,9,11H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)