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

Systemtic Name: 2-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-[[[1-(1-hydroxy-1-oxooctan-2-yl)-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(1-hydroxy-1-oxooctan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]benzoic acid Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5/c1-2-3-4-5-10-15(19(26)27)22-11-16(20-12-22)21-17(23)13-8-6-7-9-14(13)18(24)25/h6-9,11-12,15H,2-5,10H2,1H3,(H,21,23)(H,24,25)(H,26,27)