hexyl 2-(azepan-1-ylcarbamoylamino)benzoate

Systemtic Name: hexyl 2-(azepan-1-ylcarbamoylamino)benzoate Openeye Name: hexyl 2-(azepan-1-ylcarbamoylamino)benzoate CAS Name: 2-[[(1-azepanylamino)-oxomethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 2-(azepan-1-ylcarbamoylamino)benzoate Traditional Name: 2-(azepan-1-ylcarbamoylamino)benzoic acid hexyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1NC(=O)NN2CCCCCC2

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1NC(=O)NN2CCCCCC2

InChI

InChI=1S/C20H31N3O3/c1-2-3-4-11-16-26-19(24)17-12-7-8-13-18(17)21-20(25)22-23-14-9-5-6-10-15-23/h7-8,12-13H,2-6,9-11,14-16H2,1H3,(H2,21,22,25)