butyl 4-(3-imidazol-1-ylpropylcarbamoylamino)benzoate

Systemtic Name: butyl 4-(3-imidazol-1-ylpropylcarbamoylamino)benzoate Openeye Name: butyl 4-(3-imidazol-1-ylpropylcarbamoylamino)benzoate CAS Name: 4-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(3-imidazol-1-ylpropylcarbamoylamino)benzoate Traditional Name: 4-(3-imidazol-1-ylpropylcarbamoylamino)benzoic acid butyl ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NCCCN2C=CN=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C18H24N4O3/c1-2-3-13-25-17(23)15-5-7-16(8-6-15)21-18(24)20-9-4-11-22-12-10-19-14-22/h5-8,10,12,14H,2-4,9,11,13H2,1H3,(H2,20,21,24)