2-azanyl-6-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-azanyl-6-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-amino-6-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-amino-6-[[[1-(1-hydroxy-1-oxooctan-2-yl)-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-amino-6-[[1-(1-hydroxy-1-oxooctan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-amino-6-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]benzoic acid Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5/c1-2-3-4-5-9-14(18(25)26)23-10-15(21-11-23)22-17(24)12-7-6-8-13(20)16(12)19(27)28/h6-8,10-11,14H,2-5,9,20H2,1H3,(H,22,24)(H,25,26)(H,27,28)