2-[[1-(1-oxidanyl-1-oxidanylidene-decan-4-yl)imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-(1-oxidanyl-1-oxidanylidene-decan-4-yl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-[1-(2-carboxyethyl)heptyl]imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-[[[1-(1-hydroxy-1-oxodecan-4-yl)-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(1-hydroxy-1-oxodecan-4-yl)imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-[1-(2-carboxyethyl)heptyl]imidazol-4-yl]carbamoyl]benzoic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC(=O)O)N1C=C(N=C1)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCC(CCC(=O)O)N1C=C(N=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H27N3O5/c1-2-3-4-5-8-15(11-12-19(25)26)24-13-18(22-14-24)23-20(27)16-9-6-7-10-17(16)21(28)29/h6-7,9-10,13-15H,2-5,8,11-12H2,1H3,(H,23,27)(H,25,26)(H,28,29)