2-[[1-(1-oxidanyl-1-oxidanylidene-nonan-3-yl)imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-(1-oxidanyl-1-oxidanylidene-nonan-3-yl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-[1-(carboxymethyl)heptyl]imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-[[[1-(1-hydroxy-1-oxononan-3-yl)-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(1-hydroxy-1-oxononan-3-yl)imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-[1-(carboxymethyl)heptyl]imidazol-4-yl]carbamoyl]benzoic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-2-3-4-5-8-14(11-18(24)25)23-12-17(21-13-23)22-19(26)15-9-6-7-10-16(15)20(27)28/h6-7,9-10,12-14H,2-5,8,11H2,1H3,(H,22,26)(H,24,25)(H,27,28)