2-[2-oxidanylidene-2-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]amino]ethyl]benzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]amino]ethyl]benzoic acid Openeye Name: 2-[2-[[1-(1-carboxyheptyl)imidazol-4-yl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[[1-(1-hydroxy-1-oxooctan-2-yl)-4-imidazolyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-[[1-(1-hydroxy-1-oxooctan-2-yl)imidazol-4-yl]amino]-2-oxoethyl]benzoic acid Traditional Name: 2-[2-[[1-(1-carboxyheptyl)imidazol-4-yl]amino]-2-keto-ethyl]benzoic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)CC2=CC=CC=C2C(=O)O

InChI

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