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2-[6-[1-(2-carboxyethyl)imidazol-2-yl]hexylcarbamoyl]benzoic acid

2-[6-[1-(2-carboxyethyl)imidazol-2-yl]hexylcarbamoyl]benzoic acid

Systemtic Name:2-[6-[1-(2-carboxyethyl)imidazol-2-yl]hexylcarbamoyl]benzoic acid
Openeye Name:2-[6-[1-(2-carboxyethyl)imidazol-2-yl]hexylcarbamoyl]benzoic acid
CAS Name:2-[[6-[1-(2-carboxyethyl)-2-imidazolyl]hexylamino]-oxomethyl]benzoic acid
IUPAC Name:2-[6-[1-(2-carboxyethyl)imidazol-2-yl]hexylcarbamoyl]benzoic acid
Traditional Name:2-[6-[1-(2-carboxyethyl)imidazol-2-yl]hexylcarbamoyl]benzoic acid
Formula: C20H25N3O5
MolecularWeight: 387.4296
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCCCC2=NC=CN2CCC(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCCCC2=NC=CN2CCC(=O)O)C(=O)O


InChI

InChI=1S/C20H25N3O5/c24-18(25)10-13-23-14-12-21-17(23)9-3-1-2-6-11-22-19(26)15-7-4-5-8-16(15)20(27)28/h4-5,7-8,12,14H,1-3,6,9-11,13H2,(H,22,26)(H,24,25)(H,27,28)


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