2-[[1-(1-cyanoheptyl)imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-(1-cyanoheptyl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(1-cyanoheptyl)imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-[[[1-(1-cyanoheptyl)-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(1-cyanoheptyl)imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-(1-cyanoheptyl)imidazol-4-yl]carbamoyl]benzoic acid Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c1-2-3-4-5-8-14(11-20)23-12-17(21-13-23)22-18(24)15-9-6-7-10-16(15)19(25)26/h6-7,9-10,12-14H,2-5,8H2,1H3,(H,22,24)(H,25,26)